1-tert-butyl-N-(3-fluorophenyl)benzimidazol-2-amine;1-[(4-chlorophenyl)methyl]-N-phenylbenzimidazol-2-amine;1-[(5-chloro-2-pyridinyl)methyl]-N-cyclohexylbenzimidazol-2-amine;N-cyclohexyl-1-ethylbenzimidazol-2-amine;N-(2-ethoxyphenyl)-1-propan-2-ylbenzimidazol-2-amine;1-[2-(4-methoxyphenyl)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine

C139H156Cl2FN23O4 — CID 158694215

IUPAC1-tert-butyl-N-(3-fluorophenyl)benzimidazol-2-amine;1-[(4-chlorophenyl)methyl]-N-phenylbenzimidazol-2-amine;1-[(5-chloro-2-pyridinyl)methyl]-N-cyclohexylbenzimidazol-2-amine;N-cyclohexyl-1-ethylbenzimidazol-2-amine;N-(2-ethoxyphenyl)-1-propan-2-ylbenzimidazol-2-amine;1-[2-(4-methoxyphenyl)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine
SMILESCC(C)(C)n1c(Nc2cccc(F)c2)nc2ccccc21.CCOc1ccccc1Nc1nc2ccccc2n1C(C)C.CCn1c(NC2CCCCC2)nc2ccccc21.COc1ccc(CCN2CCC(Nc3nc4ccccc4n3CCc3ccc(OC)cc3)CC2)cc1.Cc1cccc(Cn2c(NC3CCOCC3)nc3ccccc32)c1.Clc1ccc(Cn2c(NC3CCCCC3)nc3ccccc32)nc1.Clc1ccc(Cn2c(Nc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C30H36N4O2.C20H16ClN3.C20H23N3O.C19H21ClN4.C18H21N3O.C17H18FN3.C15H21N3/c1-35-26-11-7-23(8-12-26)15-19-33-20-17-25(18-21-33)31-30-32-28-5-3-4-6-29(28)34(30)22-16-24-9-13-27(36-2)14-10-24;21-16-12-10-15(11-13-16)14-24-19-9-5-4-8-18(19)23-20(24)22-17-6-2-1-3-7-17;1-15-5-4-6-16(13-15)14-23-19-8-3-2-7-18(19)22-20(23)21-17-9-11-24-12-10-17;20-14-10-11-16(21-12-14)13-24-18-9-5-4-8-17(18)23-19(24)22-15-6-2-1-3-7-15;1-4-22-17-12-8-6-10-15(17)20-18-19-14-9-5-7-11-16(14)21(18)13(2)3;1-17(2,3)21-15-10-5-4-9-14(15)20-16(21)19-13-8-6-7-12(18)11-13;1-2-18-14-11-7-6-10-13(14)17-15(18)16-12-8-4-3-5-9-12/h3-14,25H,15-22H2,1-2H3,(H,31,32);1-13H,14H2,(H,22,23);2-8,13,17H,9-12,14H2,1H3,(H,21,22);4-5,8-12,15H,1-3,6-7,13H2,(H,22,23);5-13H,4H2,1-3H3,(H,19,20);4-11H,1-3H3,(H,19,20);6-7,10-12H,2-5,8-9H2,1H3,(H,16,17)
InChIKeyIGSRKIISEPBKRU-UHFFFAOYSA-N
MW2302.84 g/mol
LogP32.99
Rot. Bonds32

About 1-tert-butyl-N-(3-fluorophenyl)benzimidazol-2-amine;1-[(4-chlorophenyl)methyl]-N-phenylbenzimidazol-2-amine;1-[(5-chloro-2-pyridinyl)methyl]-N-cyclohexylbenzimidazol-2-amine;N-cyclohexyl-1-ethylbenzimidazol-2-amine;N-(2-ethoxyphenyl)-1-propan-2-ylbenzimidazol-2-amine;1-[2-(4-methoxyphenyl)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine

1-tert-butyl-N-(3-fluorophenyl)benzimidazol-2-amine;1-[(4-chlorophenyl)methyl]-N-phenylbenzimidazol-2-amine;1-[(5-chloro-2-pyridinyl)methyl]-N-cyclohexylbenzimidazol-2-amine;N-cyclohexyl-1-ethylbenzimidazol-2-amine;N-(2-ethoxyphenyl)-1-propan-2-ylbenzimidazol-2-amine;1-[2-(4-methoxyphenyl)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine (PubChem CID 158694215) has the molecular formula C139H156Cl2FN23O4 and a molecular weight of 2302.84 g/mol. Its IUPAC name is 1-tert-butyl-N-(3-fluorophenyl)benzimidazol-2-amine;1-[(4-chlorophenyl)methyl]-N-phenylbenzimidazol-2-amine;1-[(5-chloro-2-pyridinyl)methyl]-N-cyclohexylbenzimidazol-2-amine;N-cyclohexyl-1-ethylbenzimidazol-2-amine;N-(2-ethoxyphenyl)-1-propan-2-ylbenzimidazol-2-amine;1-[2-(4-methoxyphenyl)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(3-fluorophenyl)benzimidazol-2-amine;1-[(4-chlorophenyl)methyl]-N-phenylbenzimidazol-2-amine;1-[(5-chloro-2-pyridinyl)methyl]-N-cyclohexylbenzimidazol-2-amine;N-cyclohexyl-1-ethylbenzimidazol-2-amine;N-(2-ethoxyphenyl)-1-propan-2-ylbenzimidazol-2-amine;1-[2-(4-methoxyphenyl)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine
PubChem CID158694215
Molecular FormulaC139H156Cl2FN23O4
Molecular Weight2302.84 g/mol
Exact Mass2300.21
IUPAC Name1-tert-butyl-N-(3-fluorophenyl)benzimidazol-2-amine;1-[(4-chlorophenyl)methyl]-N-phenylbenzimidazol-2-amine;1-[(5-chloro-2-pyridinyl)methyl]-N-cyclohexylbenzimidazol-2-amine;N-cyclohexyl-1-ethylbenzimidazol-2-amine;N-(2-ethoxyphenyl)-1-propan-2-ylbenzimidazol-2-amine;1-[2-(4-methoxyphenyl)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine
SMILESCC(C)(C)n1c(Nc2cccc(F)c2)nc2ccccc21.CCOc1ccccc1Nc1nc2ccccc2n1C(C)C.CCn1c(NC2CCCCC2)nc2ccccc21.COc1ccc(CCN2CCC(Nc3nc4ccccc4n3CCc3ccc(OC)cc3)CC2)cc1.Cc1cccc(Cn2c(NC3CCOCC3)nc3ccccc32)c1.Clc1ccc(Cn2c(NC3CCCCC3)nc3ccccc32)nc1.Clc1ccc(Cn2c(Nc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C30H36N4O2.C20H16ClN3.C20H23N3O.C19H21ClN4.C18H21N3O.C17H18FN3.C15H21N3/c1-35-26-11-7-23(8-12-26)15-19-33-20-17-25(18-21-33)31-30-32-28-5-3-4-6-29(28)34(30)22-16-24-9-13-27(36-2)14-10-24;21-16-12-10-15(11-13-16)14-24-19-9-5-4-8-18(19)23-20(24)22-17-6-2-1-3-7-17;1-15-5-4-6-16(13-15)14-23-19-8-3-2-7-18(19)22-20(23)21-17-9-11-24-12-10-17;20-14-10-11-16(21-12-14)13-24-18-9-5-4-8-17(18)23-19(24)22-15-6-2-1-3-7-15;1-4-22-17-12-8-6-10-15(17)20-18-19-14-9-5-7-11-16(14)21(18)13(2)3;1-17(2,3)21-15-10-5-4-9-14(15)20-16(21)19-13-8-6-7-12(18)11-13;1-2-18-14-11-7-6-10-13(14)17-15(18)16-12-8-4-3-5-9-12/h3-14,25H,15-22H2,1-2H3,(H,31,32);1-13H,14H2,(H,22,23);2-8,13,17H,9-12,14H2,1H3,(H,21,22);4-5,8-12,15H,1-3,6-7,13H2,(H,22,23);5-13H,4H2,1-3H3,(H,19,20);4-11H,1-3H3,(H,19,20);6-7,10-12H,2-5,8-9H2,1H3,(H,16,17)
InChIKeyIGSRKIISEPBKRU-UHFFFAOYSA-N
XLogP32.99
TPSA262.00 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds32
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002302.84
LogP ≤ 532.99
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Analyze 1-tert-butyl-N-(3-fluorophenyl)benzimidazol-2-amine;1-[(4-chlorophenyl)methyl]-N-phenylbenzimidazol-2-amine;1-[(5-chloro-2-pyridinyl)methyl]-N-cyclohexylbenzimidazol-2-amine;N-cyclohexyl-1-ethylbenzimidazol-2-amine;N-(2-ethoxyphenyl)-1-propan-2-ylbenzimidazol-2-amine;1-[2-(4-methoxyphenyl)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine with MolForge

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260437
1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260440
1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine
CID 158694216
1-[(4-fluorophenyl)methyl]-N-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]benzimidazol-2-amine
CID 12891548
1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-prop-2-enoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260504
1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5,6-dimethylbenzimidazol-2-amine
CID 58580490
N-[1-(3-anilinopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891570
1-[4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]phenyl]-3-methylsulfanylurea
CID 88609606
1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine
CID 15037387
N-[1-(3-aminopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891742
N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine;oxalic acid
CID 67895676
1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole
CID 10342628

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(3-fluorophenyl)benzimidazol-2-amine;1-[(4-chlorophenyl)methyl]-N-phenylbenzimidazol-2-amine;1-[(5-chloro-2-pyridinyl)methyl]-N-cyclohexylbenzimidazol-2-amine;N-cyclohexyl-1-ethylbenzimidazol-2-amine;N-(2-ethoxyphenyl)-1-propan-2-ylbenzimidazol-2-amine;1-[2-(4-methoxyphenyl)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine?
The IUPAC name of 1-tert-butyl-N-(3-fluorophenyl)benzimidazol-2-amine;1-[(4-chlorophenyl)methyl]-N-phenylbenzimidazol-2-amine;1-[(5-chloro-2-pyridinyl)methyl]-N-cyclohexylbenzimidazol-2-amine;N-cyclohexyl-1-ethylbenzimidazol-2-amine;N-(2-ethoxyphenyl)-1-propan-2-ylbenzimidazol-2-amine;1-[2-(4-methoxyphenyl)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine (CID 158694215) is 1-tert-butyl-N-(3-fluorophenyl)benzimidazol-2-amine;1-[(4-chlorophenyl)methyl]-N-phenylbenzimidazol-2-amine;1-[(5-chloro-2-pyridinyl)methyl]-N-cyclohexylbenzimidazol-2-amine;N-cyclohexyl-1-ethylbenzimidazol-2-amine;N-(2-ethoxyphenyl)-1-propan-2-ylbenzimidazol-2-amine;1-[2-(4-methoxyphenyl)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine.
What is the SMILES notation for 1-tert-butyl-N-(3-fluorophenyl)benzimidazol-2-amine;1-[(4-chlorophenyl)methyl]-N-phenylbenzimidazol-2-amine;1-[(5-chloro-2-pyridinyl)methyl]-N-cyclohexylbenzimidazol-2-amine;N-cyclohexyl-1-ethylbenzimidazol-2-amine;N-(2-ethoxyphenyl)-1-propan-2-ylbenzimidazol-2-amine;1-[2-(4-methoxyphenyl)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine?
The canonical SMILES for 1-tert-butyl-N-(3-fluorophenyl)benzimidazol-2-amine;1-[(4-chlorophenyl)methyl]-N-phenylbenzimidazol-2-amine;1-[(5-chloro-2-pyridinyl)methyl]-N-cyclohexylbenzimidazol-2-amine;N-cyclohexyl-1-ethylbenzimidazol-2-amine;N-(2-ethoxyphenyl)-1-propan-2-ylbenzimidazol-2-amine;1-[2-(4-methoxyphenyl)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine is CC(C)(C)n1c(Nc2cccc(F)c2)nc2ccccc21.CCOc1ccccc1Nc1nc2ccccc2n1C(C)C.CCn1c(NC2CCCCC2)nc2ccccc21.COc1ccc(CCN2CCC(Nc3nc4ccccc4n3CCc3ccc(OC)cc3)CC2)cc1.Cc1cccc(Cn2c(NC3CCOCC3)nc3ccccc32)c1.Clc1ccc(Cn2c(NC3CCCCC3)nc3ccccc32)nc1.Clc1ccc(Cn2c(Nc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-tert-butyl-N-(3-fluorophenyl)benzimidazol-2-amine;1-[(4-chlorophenyl)methyl]-N-phenylbenzimidazol-2-amine;1-[(5-chloro-2-pyridinyl)methyl]-N-cyclohexylbenzimidazol-2-amine;N-cyclohexyl-1-ethylbenzimidazol-2-amine;N-(2-ethoxyphenyl)-1-propan-2-ylbenzimidazol-2-amine;1-[2-(4-methoxyphenyl)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine?
The InChIKey is IGSRKIISEPBKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O2.C20H16ClN3.C20H23N3O.C19H21ClN4.C18H21N3O.C17H18FN3.C15H21N3/c1-35-26-11-7-23(8-12-26)15-19-33-20-17-25(18-21-33)31-30-32-28-5-3-4-6-29(28)34(30)22-16-24-9-13-27(36-2)14-10-24;21-16-12-10-15(11-13-16)14-24-19-9-5-4-8-18(19)23-20(24)22-17-6-2-1-3-7-17;1-15-5-4-6-16(13-15)14-23-19-8-3-2-7-18(19)22-20(23)21-17-9-11-24-12-10-17;20-14-10-11-16(21-12-14)13-24-18-9-5-4-8-17(18)23-19(24)22-15-6-2-1-3-7-15;1-4-22-17-12-8-6-10-15(17)20-18-19-14-9-5-7-11-16(14)21(18)13(2)3;1-17(2,3)21-15-10-5-4-9-14(15)20-16(21)19-13-8-6-7-12(18)11-13;1-2-18-14-11-7-6-10-13(14)17-15(18)16-12-8-4-3-5-9-12/h3-14,25H,15-22H2,1-2H3,(H,31,32);1-13H,14H2,(H,22,23);2-8,13,17H,9-12,14H2,1H3,(H,21,22);4-5,8-12,15H,1-3,6-7,13H2,(H,22,23);5-13H,4H2,1-3H3,(H,19,20);4-11H,1-3H3,(H,19,20);6-7,10-12H,2-5,8-9H2,1H3,(H,16,17).
What are the key properties of 1-tert-butyl-N-(3-fluorophenyl)benzimidazol-2-amine;1-[(4-chlorophenyl)methyl]-N-phenylbenzimidazol-2-amine;1-[(5-chloro-2-pyridinyl)methyl]-N-cyclohexylbenzimidazol-2-amine;N-cyclohexyl-1-ethylbenzimidazol-2-amine;N-(2-ethoxyphenyl)-1-propan-2-ylbenzimidazol-2-amine;1-[2-(4-methoxyphenyl)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine?
1-tert-butyl-N-(3-fluorophenyl)benzimidazol-2-amine;1-[(4-chlorophenyl)methyl]-N-phenylbenzimidazol-2-amine;1-[(5-chloro-2-pyridinyl)methyl]-N-cyclohexylbenzimidazol-2-amine;N-cyclohexyl-1-ethylbenzimidazol-2-amine;N-(2-ethoxyphenyl)-1-propan-2-ylbenzimidazol-2-amine;1-[2-(4-methoxyphenyl)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine has a molecular weight of 2302.84 g/mol, XLogP of 32.99, 32 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(3-fluorophenyl)benzimidazol-2-amine;1-[(4-chlorophenyl)methyl]-N-phenylbenzimidazol-2-amine;1-[(5-chloro-2-pyridinyl)methyl]-N-cyclohexylbenzimidazol-2-amine;N-cyclohexyl-1-ethylbenzimidazol-2-amine;N-(2-ethoxyphenyl)-1-propan-2-ylbenzimidazol-2-amine;1-[2-(4-methoxyphenyl)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine is sourced from PubChem (CID 158694215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).