4-(benzimidazol-1-yl)-2-(3-methylcyclobutyl)oxyquinazoline;1-[5-bromo-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-(5-bromo-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(4-methylphenyl)ethoxy]pyrimidin-4-yl]benzimidazole;1-(5-methyl-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-(2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole

C102H96Br2ClN27O6 — CID 158620740

IUPAC4-(benzimidazol-1-yl)-2-(3-methylcyclobutyl)oxyquinazoline;1-[5-bromo-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-(5-bromo-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(4-methylphenyl)ethoxy]pyrimidin-4-yl]benzimidazole;1-(5-methyl-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-(2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole
SMILESBrc1cnc(OC2CCNC2)nc1-n1cnc2ccccc21.CC1CC(Oc2nc(-n3cnc4ccccc43)c3ccccc3n2)C1.CC1CC(Oc2ncc(Br)c(-n3cnc4ccccc43)n2)C1.Cc1ccc(CCOc2ncc(Cl)c(-n3cnc4ccccc43)n2)cc1.Cc1cnc(OC2CCNC2)nc1-n1cnc2ccccc21.c1ccc2c(c1)ncn2-c1ccnc(OC2CCNC2)n1
InChIInChI=1S/C20H17ClN4O.C20H18N4O.C16H15BrN4O.C16H17N5O.C15H14BrN5O.C15H15N5O/c1-14-6-8-15(9-7-14)10-11-26-20-22-12-16(21)19(24-20)25-13-23-17-4-2-3-5-18(17)25;1-13-10-14(11-13)25-20-22-16-7-3-2-6-15(16)19(23-20)24-12-21-17-8-4-5-9-18(17)24;1-10-6-11(7-10)22-16-18-8-12(17)15(20-16)21-9-19-13-4-2-3-5-14(13)21;1-11-8-18-16(22-12-6-7-17-9-12)20-15(11)21-10-19-13-4-2-3-5-14(13)21;16-11-8-18-15(22-10-5-6-17-7-10)20-14(11)21-9-19-12-3-1-2-4-13(12)21;1-2-4-13-12(3-1)18-10-20(13)14-6-8-17-15(19-14)21-11-5-7-16-9-11/h2-9,12-13H,10-11H2,1H3;2-9,12-14H,10-11H2,1H3;2-5,8-11H,6-7H2,1H3;2-5,8,10,12,17H,6-7,9H2,1H3;1-4,8-10,17H,5-7H2;1-4,6,8,10-11,16H,5,7,9H2
InChIKeyHXYPCTUSWLZVHW-UHFFFAOYSA-N
MW1991.33 g/mol
LogP18.04
Rot. Bonds20

About 4-(benzimidazol-1-yl)-2-(3-methylcyclobutyl)oxyquinazoline;1-[5-bromo-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-(5-bromo-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(4-methylphenyl)ethoxy]pyrimidin-4-yl]benzimidazole;1-(5-methyl-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-(2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole

4-(benzimidazol-1-yl)-2-(3-methylcyclobutyl)oxyquinazoline;1-[5-bromo-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-(5-bromo-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(4-methylphenyl)ethoxy]pyrimidin-4-yl]benzimidazole;1-(5-methyl-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-(2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole (PubChem CID 158620740) has the molecular formula C102H96Br2ClN27O6 and a molecular weight of 1991.33 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-2-(3-methylcyclobutyl)oxyquinazoline;1-[5-bromo-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-(5-bromo-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(4-methylphenyl)ethoxy]pyrimidin-4-yl]benzimidazole;1-(5-methyl-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-(2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-2-(3-methylcyclobutyl)oxyquinazoline;1-[5-bromo-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-(5-bromo-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(4-methylphenyl)ethoxy]pyrimidin-4-yl]benzimidazole;1-(5-methyl-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-(2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole
PubChem CID158620740
Molecular FormulaC102H96Br2ClN27O6
Molecular Weight1991.33 g/mol
Exact Mass1987.61
IUPAC Name4-(benzimidazol-1-yl)-2-(3-methylcyclobutyl)oxyquinazoline;1-[5-bromo-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-(5-bromo-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(4-methylphenyl)ethoxy]pyrimidin-4-yl]benzimidazole;1-(5-methyl-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-(2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole
SMILESBrc1cnc(OC2CCNC2)nc1-n1cnc2ccccc21.CC1CC(Oc2nc(-n3cnc4ccccc43)c3ccccc3n2)C1.CC1CC(Oc2ncc(Br)c(-n3cnc4ccccc43)n2)C1.Cc1ccc(CCOc2ncc(Cl)c(-n3cnc4ccccc43)n2)cc1.Cc1cnc(OC2CCNC2)nc1-n1cnc2ccccc21.c1ccc2c(c1)ncn2-c1ccnc(OC2CCNC2)n1
InChIInChI=1S/C20H17ClN4O.C20H18N4O.C16H15BrN4O.C16H17N5O.C15H14BrN5O.C15H15N5O/c1-14-6-8-15(9-7-14)10-11-26-20-22-12-16(21)19(24-20)25-13-23-17-4-2-3-5-18(17)25;1-13-10-14(11-13)25-20-22-16-7-3-2-6-15(16)19(23-20)24-12-21-17-8-4-5-9-18(17)24;1-10-6-11(7-10)22-16-18-8-12(17)15(20-16)21-9-19-13-4-2-3-5-14(13)21;1-11-8-18-16(22-12-6-7-17-9-12)20-15(11)21-10-19-13-4-2-3-5-14(13)21;16-11-8-18-15(22-10-5-6-17-7-10)20-14(11)21-9-19-12-3-1-2-4-13(12)21;1-2-4-13-12(3-1)18-10-20(13)14-6-8-17-15(19-14)21-11-5-7-16-9-11/h2-9,12-13H,10-11H2,1H3;2-9,12-14H,10-11H2,1H3;2-5,8-11H,6-7H2,1H3;2-5,8,10,12,17H,6-7,9H2,1H3;1-4,8-10,17H,5-7H2;1-4,6,8,10-11,16H,5,7,9H2
InChIKeyHXYPCTUSWLZVHW-UHFFFAOYSA-N
XLogP18.04
TPSA353.07 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds20
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001991.33
LogP ≤ 518.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Analyze 4-(benzimidazol-1-yl)-2-(3-methylcyclobutyl)oxyquinazoline;1-[5-bromo-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-(5-bromo-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(4-methylphenyl)ethoxy]pyrimidin-4-yl]benzimidazole;1-(5-methyl-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-(2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole with MolForge

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Related Compounds

bis(3-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]oxycyclobutan-1-amine);5-chloro-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]imidazol-1-yl]-2-(3-methylcyclobutyl)oxypyrimidine;1-(5-chloro-2-cyclobutyloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(2-fluoro-4-pyridinyl)ethoxy]pyrimidin-4-yl]benzimidazole;5-chloro-4-(4-isocyanoimidazol-1-yl)-2-(3-methylcyclobutyl)oxypyrimidine;1-[5-chloro-2-[(3R)-pyrrolidin-3-yl]oxypyrimidin-4-yl]benzimidazole
CID 159367830
4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]morpholine;3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-methoxyethyl)cyclobutan-1-amine;7-[8-chloro-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
CID 159762422
3-[3-(2-Methoxyethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-(3-morpholin-4-ylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine
CID 161402943
(3R)-1-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]pyrrolidin-3-ol;(3S)-1-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]pyrrolidin-3-ol;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrazin-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 161929764
bis(9-cyclobutyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine);9-cyclopropyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(6-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;dihydrochloride
CID 167574876
9-cyclobutyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclobutyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;trihydrochloride
CID 167585358
9-cyclopentyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopentyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;N-(5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;trihydrochloride
CID 167605314
N-[5-(2,8-diazaspiro[4.5]decan-2-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;N-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;N-[5-(2-methylmorpholin-4-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;N-(6-methyl-5-morpholin-4-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;hydrochloride
CID 167621548
9-cyclopropyl-N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;N-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-9-ethylpyrrolo[3,2-h]quinazolin-2-amine;9-ethyl-N-[5-(2-methylmorpholin-4-yl)-2-pyridinyl]pyrrolo[3,2-h]quinazolin-2-amine;9-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;dihydrochloride
CID 167655080
N-[5-[4-(dimethylamino)piperidin-1-yl]-6-fluoro-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;N-(5-piperidin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;9-propan-2-yl-N-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-h]quinazolin-2-amine;1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-ol;3-[1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]propan-1-ol
CID 167685772

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-2-(3-methylcyclobutyl)oxyquinazoline;1-[5-bromo-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-(5-bromo-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(4-methylphenyl)ethoxy]pyrimidin-4-yl]benzimidazole;1-(5-methyl-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-(2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole?
The IUPAC name of 4-(benzimidazol-1-yl)-2-(3-methylcyclobutyl)oxyquinazoline;1-[5-bromo-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-(5-bromo-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(4-methylphenyl)ethoxy]pyrimidin-4-yl]benzimidazole;1-(5-methyl-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-(2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole (CID 158620740) is 4-(benzimidazol-1-yl)-2-(3-methylcyclobutyl)oxyquinazoline;1-[5-bromo-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-(5-bromo-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(4-methylphenyl)ethoxy]pyrimidin-4-yl]benzimidazole;1-(5-methyl-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-(2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole.
What is the SMILES notation for 4-(benzimidazol-1-yl)-2-(3-methylcyclobutyl)oxyquinazoline;1-[5-bromo-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-(5-bromo-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(4-methylphenyl)ethoxy]pyrimidin-4-yl]benzimidazole;1-(5-methyl-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-(2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole?
The canonical SMILES for 4-(benzimidazol-1-yl)-2-(3-methylcyclobutyl)oxyquinazoline;1-[5-bromo-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-(5-bromo-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(4-methylphenyl)ethoxy]pyrimidin-4-yl]benzimidazole;1-(5-methyl-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-(2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole is Brc1cnc(OC2CCNC2)nc1-n1cnc2ccccc21.CC1CC(Oc2nc(-n3cnc4ccccc43)c3ccccc3n2)C1.CC1CC(Oc2ncc(Br)c(-n3cnc4ccccc43)n2)C1.Cc1ccc(CCOc2ncc(Cl)c(-n3cnc4ccccc43)n2)cc1.Cc1cnc(OC2CCNC2)nc1-n1cnc2ccccc21.c1ccc2c(c1)ncn2-c1ccnc(OC2CCNC2)n1.
What is the InChIKey of 4-(benzimidazol-1-yl)-2-(3-methylcyclobutyl)oxyquinazoline;1-[5-bromo-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-(5-bromo-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(4-methylphenyl)ethoxy]pyrimidin-4-yl]benzimidazole;1-(5-methyl-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-(2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole?
The InChIKey is HXYPCTUSWLZVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O.C20H18N4O.C16H15BrN4O.C16H17N5O.C15H14BrN5O.C15H15N5O/c1-14-6-8-15(9-7-14)10-11-26-20-22-12-16(21)19(24-20)25-13-23-17-4-2-3-5-18(17)25;1-13-10-14(11-13)25-20-22-16-7-3-2-6-15(16)19(23-20)24-12-21-17-8-4-5-9-18(17)24;1-10-6-11(7-10)22-16-18-8-12(17)15(20-16)21-9-19-13-4-2-3-5-14(13)21;1-11-8-18-16(22-12-6-7-17-9-12)20-15(11)21-10-19-13-4-2-3-5-14(13)21;16-11-8-18-15(22-10-5-6-17-7-10)20-14(11)21-9-19-12-3-1-2-4-13(12)21;1-2-4-13-12(3-1)18-10-20(13)14-6-8-17-15(19-14)21-11-5-7-16-9-11/h2-9,12-13H,10-11H2,1H3;2-9,12-14H,10-11H2,1H3;2-5,8-11H,6-7H2,1H3;2-5,8,10,12,17H,6-7,9H2,1H3;1-4,8-10,17H,5-7H2;1-4,6,8,10-11,16H,5,7,9H2.
What are the key properties of 4-(benzimidazol-1-yl)-2-(3-methylcyclobutyl)oxyquinazoline;1-[5-bromo-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-(5-bromo-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(4-methylphenyl)ethoxy]pyrimidin-4-yl]benzimidazole;1-(5-methyl-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-(2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole?
4-(benzimidazol-1-yl)-2-(3-methylcyclobutyl)oxyquinazoline;1-[5-bromo-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-(5-bromo-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(4-methylphenyl)ethoxy]pyrimidin-4-yl]benzimidazole;1-(5-methyl-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-(2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole has a molecular weight of 1991.33 g/mol, XLogP of 18.04, 20 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-2-(3-methylcyclobutyl)oxyquinazoline;1-[5-bromo-2-(3-methylcyclobutyl)oxypyrimidin-4-yl]benzimidazole;1-(5-bromo-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-[5-chloro-2-[2-(4-methylphenyl)ethoxy]pyrimidin-4-yl]benzimidazole;1-(5-methyl-2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole;1-(2-pyrrolidin-3-yloxypyrimidin-4-yl)benzimidazole is sourced from PubChem (CID 158620740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).