N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-2-(1-fluoroethyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;6-N-[4-[chloro(difluoro)methoxy]phenyl]-4-N-cyclopropyl-3-propan-2-ylbenzimidazole-4,6-dicarboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(1-hydroxycyclopropyl)methyl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide

C113H95Cl5F11N23O13 — CID 159359007

About N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-2-(1-fluoroethyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;6-N-[4-[chloro(difluoro)methoxy]phenyl]-4-N-cyclopropyl-3-propan-2-ylbenzimidazole-4,6-dicarboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(1-hydroxycyclopropyl)methyl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-2-(1-fluoroethyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;6-N-[4-[chloro(difluoro)methoxy]phenyl]-4-N-cyclopropyl-3-propan-2-ylbenzimidazole-4,6-dicarboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(1-hydroxycyclopropyl)methyl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide (PubChem CID 159359007) has the molecular formula C113H95Cl5F11N23O13 and a molecular weight of 2369.39 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-2-(1-fluoroethyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;6-N-[4-[chloro(difluoro)methoxy]phenyl]-4-N-cyclopropyl-3-propan-2-ylbenzimidazole-4,6-dicarboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(1-hydroxycyclopropyl)methyl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-2-(1-fluoroethyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;6-N-[4-[chloro(difluoro)methoxy]phenyl]-4-N-cyclopropyl-3-propan-2-ylbenzimidazole-4,6-dicarboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(1-hydroxycyclopropyl)methyl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide
• PubChem CID: 159359007
• Molecular Formula: C113H95Cl5F11N23O13
• Molecular Weight: 2369.39 g/mol
• Exact Mass: 2365.57
• IUPAC Name: N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-2-(1-fluoroethyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;6-N-[4-[chloro(difluoro)methoxy]phenyl]-4-N-cyclopropyl-3-propan-2-ylbenzimidazole-4,6-dicarboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(1-hydroxycyclopropyl)methyl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide
• SMILES: CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-n3ccnc3)c21.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(C(=O)NC3CC3)c21.CC(F)c1nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cncnc3)c2n1C1CC1.Cn1c(CCO)nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cccnc3)c21.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2cncnc2)c2c(c1)ncn2CC1(O)CC1
• InChI: InChI=1S/C24H19ClF3N5O2.C23H18ClF2N5O3.C23H19ClF2N4O3.C22H21ClF2N4O3.C21H18ClF2N5O2/c1-13(26)22-32-20-9-14(23(34)31-16-2-6-18(7-3-16)35-24(25,27)28)8-19(15-10-29-12-30-11-15)21(20)33(22)17-4-5-17;24-23(25,26)34-17-3-1-16(2-4-17)30-21(32)14-7-18(15-9-27-12-28-10-15)20-19(8-14)29-13-31(20)11-22(33)5-6-22;1-30-20(8-10-31)29-19-12-15(11-18(21(19)30)14-3-2-9-27-13-14)22(32)28-16-4-6-17(7-5-16)33-23(24,25)26;1-12(2)29-11-26-18-10-13(9-17(19(18)29)21(31)28-14-3-4-14)20(30)27-15-5-7-16(8-6-15)32-22(23,24)25;1-13(2)29-12-26-17-9-14(10-18(19(17)29)28-8-7-25-11-28)20(30)27-15-3-5-16(6-4-15)31-21(22,23)24/h2-3,6-13,17H,4-5H2,1H3,(H,31,34);1-4,7-10,12-13,33H,5-6,11H2,(H,30,32);2-7,9,11-13,31H,8,10H2,1H3,(H,28,32);5-12,14H,3-4H2,1-2H3,(H,27,30)(H,28,31);3-13H,1-2H3,(H,27,30)
• InChIKey: LIHFJCTZEHHKAP-UHFFFAOYSA-N
• XLogP: 25.46
• TPSA: 432.58 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2369.39
LogP ≤ 5	25.46
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-2-(1-fluoroethyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;6-N-[4-[chloro(difluoro)methoxy]phenyl]-4-N-cyclopropyl-3-propan-2-ylbenzimidazole-4,6-dicarboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(1-hydroxycyclopropyl)methyl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide?

The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-2-(1-fluoroethyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;6-N-[4-[chloro(difluoro)methoxy]phenyl]-4-N-cyclopropyl-3-propan-2-ylbenzimidazole-4,6-dicarboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(1-hydroxycyclopropyl)methyl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide (CID 159359007) is N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-2-(1-fluoroethyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;6-N-[4-[chloro(difluoro)methoxy]phenyl]-4-N-cyclopropyl-3-propan-2-ylbenzimidazole-4,6-dicarboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(1-hydroxycyclopropyl)methyl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide.

What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-2-(1-fluoroethyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;6-N-[4-[chloro(difluoro)methoxy]phenyl]-4-N-cyclopropyl-3-propan-2-ylbenzimidazole-4,6-dicarboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(1-hydroxycyclopropyl)methyl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide?

The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-2-(1-fluoroethyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;6-N-[4-[chloro(difluoro)methoxy]phenyl]-4-N-cyclopropyl-3-propan-2-ylbenzimidazole-4,6-dicarboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(1-hydroxycyclopropyl)methyl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide is CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-n3ccnc3)c21.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(C(=O)NC3CC3)c21.CC(F)c1nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cncnc3)c2n1C1CC1.Cn1c(CCO)nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cccnc3)c21.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc(-c2cncnc2)c2c(c1)ncn2CC1(O)CC1.

What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-2-(1-fluoroethyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;6-N-[4-[chloro(difluoro)methoxy]phenyl]-4-N-cyclopropyl-3-propan-2-ylbenzimidazole-4,6-dicarboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(1-hydroxycyclopropyl)methyl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide?

The InChIKey is LIHFJCTZEHHKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N5O2.C23H18ClF2N5O3.C23H19ClF2N4O3.C22H21ClF2N4O3.C21H18ClF2N5O2/c1-13(26)22-32-20-9-14(23(34)31-16-2-6-18(7-3-16)35-24(25,27)28)8-19(15-10-29-12-30-11-15)21(20)33(22)17-4-5-17;24-23(25,26)34-17-3-1-16(2-4-17)30-21(32)14-7-18(15-9-27-12-28-10-15)20-19(8-14)29-13-31(20)11-22(33)5-6-22;1-30-20(8-10-31)29-19-12-15(11-18(21(19)30)14-3-2-9-27-13-14)22(32)28-16-4-6-17(7-5-16)33-23(24,25)26;1-12(2)29-11-26-18-10-13(9-17(19(18)29)21(31)28-14-3-4-14)20(30)27-15-5-7-16(8-6-15)32-22(23,24)25;1-13(2)29-12-26-17-9-14(10-18(19(17)29)28-8-7-25-11-28)20(30)27-15-3-5-16(6-4-15)31-21(22,23)24/h2-3,6-13,17H,4-5H2,1H3,(H,31,34);1-4,7-10,12-13,33H,5-6,11H2,(H,30,32);2-7,9,11-13,31H,8,10H2,1H3,(H,28,32);5-12,14H,3-4H2,1-2H3,(H,27,30)(H,28,31);3-13H,1-2H3,(H,27,30).

What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-2-(1-fluoroethyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;6-N-[4-[chloro(difluoro)methoxy]phenyl]-4-N-cyclopropyl-3-propan-2-ylbenzimidazole-4,6-dicarboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(1-hydroxycyclopropyl)methyl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide?

N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-2-(1-fluoroethyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;6-N-[4-[chloro(difluoro)methoxy]phenyl]-4-N-cyclopropyl-3-propan-2-ylbenzimidazole-4,6-dicarboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(1-hydroxycyclopropyl)methyl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide has a molecular weight of 2369.39 g/mol, XLogP of 25.46, 34 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-2-(1-fluoroethyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;6-N-[4-[chloro(difluoro)methoxy]phenyl]-4-N-cyclopropyl-3-propan-2-ylbenzimidazole-4,6-dicarboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(1-hydroxycyclopropyl)methyl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 159359007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).