N-[4-[chloro(difluoro)methoxy]phenyl]-2,3-dimethyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-1-[(2R)-1-hydroxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-methylcyclobutyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide

C112H89Cl5F12N24O11 — CID 158353009

IUPACN-[4-[chloro(difluoro)methoxy]phenyl]-2,3-dimethyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-1-[(2R)-1-hydroxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-methylcyclobutyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide
SMILESCC(F)c1nc2c(-c3cncnc3)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2n1C.CC(F)c1nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cncnc3)c2n1[C@H](C)CO.CC1CC(n2cnc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4cncnc4)c32)C1.Cc1nc2c(-c3cccnc3)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2n1C.Cn1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cncnc3)c21
InChIInChI=1S/C24H21ClF3N5O3.C24H20ClF2N5O2.C22H17ClF3N5O2.C22H17ClF2N4O2.C20H14ClF2N5O2/c1-13(11-34)33-21-19(16-9-29-12-30-10-16)7-15(8-20(21)32-22(33)14(2)26)23(35)31-17-3-5-18(6-4-17)36-24(25,27)28;1-14-6-18(7-14)32-13-30-21-9-15(8-20(22(21)32)16-10-28-12-29-11-16)23(33)31-17-2-4-19(5-3-17)34-24(25,26)27;1-12(24)20-30-19-17(14-9-27-11-28-10-14)7-13(8-18(19)31(20)2)21(32)29-15-3-5-16(6-4-15)33-22(23,25)26;1-13-27-20-18(14-4-3-9-26-12-14)10-15(11-19(20)29(13)2)21(30)28-16-5-7-17(8-6-16)31-22(23,24)25;1-28-11-26-17-7-12(6-16(18(17)28)13-8-24-10-25-9-13)19(29)27-14-2-4-15(5-3-14)30-20(21,22)23/h3-10,12-14,34H,11H2,1-2H3,(H,31,35);2-5,8-14,18H,6-7H2,1H3,(H,31,33);3-12H,1-2H3,(H,29,32);3-12H,1-2H3,(H,28,30);2-11H,1H3,(H,27,29)/t13-,14?;;;;/m1..../s1
InChIKeyGSNSVGKBDWCUCO-ZCQURIIESA-N
MW2352.34 g/mol
LogP26.68
Rot. Bonds30

About N-[4-[chloro(difluoro)methoxy]phenyl]-2,3-dimethyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-1-[(2R)-1-hydroxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-methylcyclobutyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-2,3-dimethyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-1-[(2R)-1-hydroxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-methylcyclobutyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide (PubChem CID 158353009) has the molecular formula C112H89Cl5F12N24O11 and a molecular weight of 2352.34 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-2,3-dimethyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-1-[(2R)-1-hydroxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-methylcyclobutyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methoxy]phenyl]-2,3-dimethyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-1-[(2R)-1-hydroxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-methylcyclobutyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide
PubChem CID158353009
Molecular FormulaC112H89Cl5F12N24O11
Molecular Weight2352.34 g/mol
Exact Mass2348.54
IUPAC NameN-[4-[chloro(difluoro)methoxy]phenyl]-2,3-dimethyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-1-[(2R)-1-hydroxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-methylcyclobutyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide
SMILESCC(F)c1nc2c(-c3cncnc3)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2n1C.CC(F)c1nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cncnc3)c2n1[C@H](C)CO.CC1CC(n2cnc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4cncnc4)c32)C1.Cc1nc2c(-c3cccnc3)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2n1C.Cn1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cncnc3)c21
InChIInChI=1S/C24H21ClF3N5O3.C24H20ClF2N5O2.C22H17ClF3N5O2.C22H17ClF2N4O2.C20H14ClF2N5O2/c1-13(11-34)33-21-19(16-9-29-12-30-10-16)7-15(8-20(21)32-22(33)14(2)26)23(35)31-17-3-5-18(6-4-17)36-24(25,27)28;1-14-6-18(7-14)32-13-30-21-9-15(8-20(22(21)32)16-10-28-12-29-11-16)23(33)31-17-2-4-19(5-3-17)34-24(25,26)27;1-12(24)20-30-19-17(14-9-27-11-28-10-14)7-13(8-18(19)31(20)2)21(32)29-15-3-5-16(6-4-15)33-22(23,25)26;1-13-27-20-18(14-4-3-9-26-12-14)10-15(11-19(20)29(13)2)21(30)28-16-5-7-17(8-6-16)31-22(23,24)25;1-28-11-26-17-7-12(6-16(18(17)28)13-8-24-10-25-9-13)19(29)27-14-2-4-15(5-3-14)30-20(21,22)23/h3-10,12-14,34H,11H2,1-2H3,(H,31,35);2-5,8-14,18H,6-7H2,1H3,(H,31,33);3-12H,1-2H3,(H,29,32);3-12H,1-2H3,(H,28,30);2-11H,1H3,(H,27,29)/t13-,14?;;;;/m1..../s1
InChIKeyGSNSVGKBDWCUCO-ZCQURIIESA-N
XLogP26.68
TPSA416.99 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002352.34
LogP ≤ 526.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze N-[4-[chloro(difluoro)methoxy]phenyl]-2,3-dimethyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-1-[(2R)-1-hydroxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-methylcyclobutyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-2,3-dimethyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-1-[(2R)-1-hydroxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-methylcyclobutyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide?
The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-2,3-dimethyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-1-[(2R)-1-hydroxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-methylcyclobutyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide (CID 158353009) is N-[4-[chloro(difluoro)methoxy]phenyl]-2,3-dimethyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-1-[(2R)-1-hydroxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-methylcyclobutyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-2,3-dimethyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-1-[(2R)-1-hydroxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-methylcyclobutyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-2,3-dimethyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-1-[(2R)-1-hydroxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-methylcyclobutyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide is CC(F)c1nc2c(-c3cncnc3)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2n1C.CC(F)c1nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cncnc3)c2n1[C@H](C)CO.CC1CC(n2cnc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4cncnc4)c32)C1.Cc1nc2c(-c3cccnc3)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2n1C.Cn1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cncnc3)c21.
What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-2,3-dimethyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-1-[(2R)-1-hydroxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-methylcyclobutyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide?
The InChIKey is GSNSVGKBDWCUCO-ZCQURIIESA-N. The full InChI is InChI=1S/C24H21ClF3N5O3.C24H20ClF2N5O2.C22H17ClF3N5O2.C22H17ClF2N4O2.C20H14ClF2N5O2/c1-13(11-34)33-21-19(16-9-29-12-30-10-16)7-15(8-20(21)32-22(33)14(2)26)23(35)31-17-3-5-18(6-4-17)36-24(25,27)28;1-14-6-18(7-14)32-13-30-21-9-15(8-20(22(21)32)16-10-28-12-29-11-16)23(33)31-17-2-4-19(5-3-17)34-24(25,26)27;1-12(24)20-30-19-17(14-9-27-11-28-10-14)7-13(8-18(19)31(20)2)21(32)29-15-3-5-16(6-4-15)33-22(23,25)26;1-13-27-20-18(14-4-3-9-26-12-14)10-15(11-19(20)29(13)2)21(30)28-16-5-7-17(8-6-16)31-22(23,24)25;1-28-11-26-17-7-12(6-16(18(17)28)13-8-24-10-25-9-13)19(29)27-14-2-4-15(5-3-14)30-20(21,22)23/h3-10,12-14,34H,11H2,1-2H3,(H,31,35);2-5,8-14,18H,6-7H2,1H3,(H,31,33);3-12H,1-2H3,(H,29,32);3-12H,1-2H3,(H,28,30);2-11H,1H3,(H,27,29)/t13-,14?;;;;/m1..../s1.
What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-2,3-dimethyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-1-[(2R)-1-hydroxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-methylcyclobutyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide?
N-[4-[chloro(difluoro)methoxy]phenyl]-2,3-dimethyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-1-[(2R)-1-hydroxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-methylcyclobutyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide has a molecular weight of 2352.34 g/mol, XLogP of 26.68, 30 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methoxy]phenyl]-2,3-dimethyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-1-[(2R)-1-hydroxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-methylcyclobutyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 158353009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).