N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1,2-dimethyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-2-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-9-pyrimidin-5-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide

C115H97Cl5F10N24O11 — CID 159211082

IUPACN-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1,2-dimethyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-2-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-9-pyrimidin-5-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
SMILESCC(C)c1nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cccnc3)c2n1C.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-n3cnc(C4CC4)c3)c21.COc1nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cncnc3)c2n1C(C)C.Cc1nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cncnc3)c2n1C.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2cncnc2)c2c(c1)nc1n2CCCC1
InChIInChI=1S/C24H22ClF2N5O2.C24H21ClF2N4O2.C23H20ClF2N5O3.C23H18ClF2N5O2.C21H16ClF2N5O2/c1-14(2)32-13-29-19-9-16(10-21(22(19)32)31-11-20(28-12-31)15-3-4-15)23(33)30-17-5-7-18(8-6-17)34-24(25,26)27;1-14(2)22-30-20-12-16(11-19(21(20)31(22)3)15-5-4-10-28-13-15)23(32)29-17-6-8-18(9-7-17)33-24(25,26)27;1-13(2)31-20-18(15-10-27-12-28-11-15)8-14(9-19(20)30-22(31)33-3)21(32)29-16-4-6-17(7-5-16)34-23(24,25)26;24-23(25,26)33-17-6-4-16(5-7-17)29-22(32)14-9-18(15-11-27-13-28-12-15)21-19(10-14)30-20-3-1-2-8-31(20)21;1-12-27-18-8-13(7-17(19(18)29(12)2)14-9-25-11-26-10-14)20(30)28-15-3-5-16(6-4-15)31-21(22,23)24/h5-15H,3-4H2,1-2H3,(H,30,33);4-14H,1-3H3,(H,29,32);4-13H,1-3H3,(H,29,32);4-7,9-13H,1-3,8H2,(H,29,32);3-11H,1-2H3,(H,28,30)
InChIKeyKQMQGSKZCQHVSK-UHFFFAOYSA-N
MW2358.44 g/mol
LogP27.79
Rot. Bonds30

About N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1,2-dimethyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-2-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-9-pyrimidin-5-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1,2-dimethyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-2-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-9-pyrimidin-5-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide (PubChem CID 159211082) has the molecular formula C115H97Cl5F10N24O11 and a molecular weight of 2358.44 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1,2-dimethyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-2-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-9-pyrimidin-5-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1,2-dimethyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-2-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-9-pyrimidin-5-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
PubChem CID159211082
Molecular FormulaC115H97Cl5F10N24O11
Molecular Weight2358.44 g/mol
Exact Mass2354.61
IUPAC NameN-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1,2-dimethyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-2-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-9-pyrimidin-5-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
SMILESCC(C)c1nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cccnc3)c2n1C.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-n3cnc(C4CC4)c3)c21.COc1nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cncnc3)c2n1C(C)C.Cc1nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cncnc3)c2n1C.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2cncnc2)c2c(c1)nc1n2CCCC1
InChIInChI=1S/C24H22ClF2N5O2.C24H21ClF2N4O2.C23H20ClF2N5O3.C23H18ClF2N5O2.C21H16ClF2N5O2/c1-14(2)32-13-29-19-9-16(10-21(22(19)32)31-11-20(28-12-31)15-3-4-15)23(33)30-17-5-7-18(8-6-17)34-24(25,26)27;1-14(2)22-30-20-12-16(11-19(21(20)31(22)3)15-5-4-10-28-13-15)23(32)29-17-6-8-18(9-7-17)33-24(25,26)27;1-13(2)31-20-18(15-10-27-12-28-11-15)8-14(9-19(20)30-22(31)33-3)21(32)29-16-4-6-17(7-5-16)34-23(24,25)26;24-23(25,26)33-17-6-4-16(5-7-17)29-22(32)14-9-18(15-11-27-13-28-12-15)21-19(10-14)30-20-3-1-2-8-31(20)21;1-12-27-18-8-13(7-17(19(18)29(12)2)14-9-25-11-26-10-14)20(30)28-15-3-5-16(6-4-15)31-21(22,23)24/h5-15H,3-4H2,1-2H3,(H,30,33);4-14H,1-3H3,(H,29,32);4-13H,1-3H3,(H,29,32);4-7,9-13H,1-3,8H2,(H,29,32);3-11H,1-2H3,(H,28,30)
InChIKeyKQMQGSKZCQHVSK-UHFFFAOYSA-N
XLogP27.79
TPSA398.03 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002358.44
LogP ≤ 527.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1,2-dimethyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-2-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-9-pyrimidin-5-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

US10889571, Example 112
CID 146507815
US10889571, Example 82
CID 146507816
US10889571, Example 87
CID 146507820
US10889571, Example 132
CID 146507837
US10889571, Example 111
CID 146507844
US10889571, Example 70
CID 146507902
US10889571, Example 114
CID 146507904
US10889571, Example 135
CID 146507914
US10889571, Example 88
CID 146508269
US10889571, Example 116
CID 146508277
US20240101536, Example 15
CID 146458580
2-acetyl-N-[4-[chloro(difluoro)methoxy]phenyl]-6-pyrimidin-5-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide
CID 146507911

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1,2-dimethyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-2-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-9-pyrimidin-5-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1,2-dimethyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-2-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-9-pyrimidin-5-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide (CID 159211082) is N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1,2-dimethyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-2-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-9-pyrimidin-5-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1,2-dimethyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-2-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-9-pyrimidin-5-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1,2-dimethyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-2-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-9-pyrimidin-5-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide is CC(C)c1nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cccnc3)c2n1C.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-n3cnc(C4CC4)c3)c21.COc1nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cncnc3)c2n1C(C)C.Cc1nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cncnc3)c2n1C.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2cncnc2)c2c(c1)nc1n2CCCC1.
What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1,2-dimethyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-2-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-9-pyrimidin-5-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
The InChIKey is KQMQGSKZCQHVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF2N5O2.C24H21ClF2N4O2.C23H20ClF2N5O3.C23H18ClF2N5O2.C21H16ClF2N5O2/c1-14(2)32-13-29-19-9-16(10-21(22(19)32)31-11-20(28-12-31)15-3-4-15)23(33)30-17-5-7-18(8-6-17)34-24(25,26)27;1-14(2)22-30-20-12-16(11-19(21(20)31(22)3)15-5-4-10-28-13-15)23(32)29-17-6-8-18(9-7-17)33-24(25,26)27;1-13(2)31-20-18(15-10-27-12-28-11-15)8-14(9-19(20)30-22(31)33-3)21(32)29-16-4-6-17(7-5-16)34-23(24,25)26;24-23(25,26)33-17-6-4-16(5-7-17)29-22(32)14-9-18(15-11-27-13-28-12-15)21-19(10-14)30-20-3-1-2-8-31(20)21;1-12-27-18-8-13(7-17(19(18)29(12)2)14-9-25-11-26-10-14)20(30)28-15-3-5-16(6-4-15)31-21(22,23)24/h5-15H,3-4H2,1-2H3,(H,30,33);4-14H,1-3H3,(H,29,32);4-13H,1-3H3,(H,29,32);4-7,9-13H,1-3,8H2,(H,29,32);3-11H,1-2H3,(H,28,30).
What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1,2-dimethyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-2-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-9-pyrimidin-5-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1,2-dimethyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-2-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-9-pyrimidin-5-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide has a molecular weight of 2358.44 g/mol, XLogP of 27.79, 30 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1,2-dimethyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-2-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-9-pyrimidin-5-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide is sourced from PubChem (CID 159211082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).