N-(3-chloro-4-fluorophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-ethoxy-1-methylbenzimidazole-5-carboxamide

C30H26Cl2F4N4O3 — CID 149001418

IUPACN-(3-chloro-4-fluorophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-ethoxy-1-methylbenzimidazole-5-carboxamide
SMILESCCOc1cc2c(cc1C(=O)Nc1ccc(F)c(Cl)c1)nc(Cc1cc(CNC(=O)C3(C(F)(F)F)CC3)ccc1Cl)n2C
InChIInChI=1S/C30H26Cl2F4N4O3/c1-3-43-25-14-24-23(13-19(25)27(41)38-18-5-7-22(33)21(32)12-18)39-26(40(24)2)11-17-10-16(4-6-20(17)31)15-37-28(42)29(8-9-29)30(34,35)36/h4-7,10,12-14H,3,8-9,11,15H2,1-2H3,(H,37,42)(H,38,41)
InChIKeyPZSLZEMIZQBQJX-UHFFFAOYSA-N
MW637.46 g/mol
LogP7.22
Rot. Bonds9

About N-(3-chloro-4-fluorophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-ethoxy-1-methylbenzimidazole-5-carboxamide

N-(3-chloro-4-fluorophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-ethoxy-1-methylbenzimidazole-5-carboxamide (PubChem CID 149001418) has the molecular formula C30H26Cl2F4N4O3 and a molecular weight of 637.46 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-ethoxy-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-ethoxy-1-methylbenzimidazole-5-carboxamide
PubChem CID149001418
Molecular FormulaC30H26Cl2F4N4O3
Molecular Weight637.46 g/mol
Exact Mass636.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-ethoxy-1-methylbenzimidazole-5-carboxamide
SMILESCCOc1cc2c(cc1C(=O)Nc1ccc(F)c(Cl)c1)nc(Cc1cc(CNC(=O)C3(C(F)(F)F)CC3)ccc1Cl)n2C
InChIInChI=1S/C30H26Cl2F4N4O3/c1-3-43-25-14-24-23(13-19(25)27(41)38-18-5-7-22(33)21(32)12-18)39-26(40(24)2)11-17-10-16(4-6-20(17)31)15-37-28(42)29(8-9-29)30(34,35)36/h4-7,10,12-14H,3,8-9,11,15H2,1-2H3,(H,37,42)(H,38,41)
InChIKeyPZSLZEMIZQBQJX-UHFFFAOYSA-N
XLogP7.22
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.46
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-fluorophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-ethoxy-1-methylbenzimidazole-5-carboxamide with MolForge

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Related Compounds

Vipoglanstat
CID 56649447
N-(3-Chloro-4-fluoro-phenyl)-2-{2,6-dichloro-3-[(2,2-dimethyl-propionylamino)-methyl]-phenylamino}-6-(2-fluoroethoxy)-1-methyl-1H-benzimidazole-5-carboxylic acid amide
CID 86669641
2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 46908258
N-(4-Bromo-phenyl)-2-(2-chloro-5-{[(tert-butylcarbonyl)-amino]-methyl}-phenylamino)-6-(2,2-difluoro-ethoxy)-1-methyl-1H-benzimidazole-5-carboxylic acid amide
CID 46908736
N-(4-chloro-2-fluorophenyl)-2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 56837793
2-(2,6-dichloroanilino)-7,7-dimethyl-N-(2,2,2-trifluoroethyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56969601
2-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56969811
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56970017
2-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56970021
2-[(2-chloro-6-fluorophenyl)amino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7,7-dimethyl-7,8-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
CID 56970444
2-[(2-Chloro-6-methylphenyl)amino]-N-[2-fluoro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-7,8-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
CID 56970445
2-[(2-Chloro-6-fluorophenyl)amino]-7,7-dimethyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
CID 56970656

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-ethoxy-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-ethoxy-1-methylbenzimidazole-5-carboxamide (CID 149001418) is N-(3-chloro-4-fluorophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-ethoxy-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-ethoxy-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-ethoxy-1-methylbenzimidazole-5-carboxamide is CCOc1cc2c(cc1C(=O)Nc1ccc(F)c(Cl)c1)nc(Cc1cc(CNC(=O)C3(C(F)(F)F)CC3)ccc1Cl)n2C.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-ethoxy-1-methylbenzimidazole-5-carboxamide?
The InChIKey is PZSLZEMIZQBQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl2F4N4O3/c1-3-43-25-14-24-23(13-19(25)27(41)38-18-5-7-22(33)21(32)12-18)39-26(40(24)2)11-17-10-16(4-6-20(17)31)15-37-28(42)29(8-9-29)30(34,35)36/h4-7,10,12-14H,3,8-9,11,15H2,1-2H3,(H,37,42)(H,38,41).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-ethoxy-1-methylbenzimidazole-5-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-ethoxy-1-methylbenzimidazole-5-carboxamide has a molecular weight of 637.46 g/mol, XLogP of 7.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-ethoxy-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 149001418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).