N-(2-chloro-6-methylphenyl)-7,7-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-8H-furo[3,2-e]benzimidazol-2-amine;1H-indole-5-carboxylic acid

C37H32ClF3N4O3 — CID 162053232

IUPACN-(2-chloro-6-methylphenyl)-7,7-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-8H-furo[3,2-e]benzimidazol-2-amine;1H-indole-5-carboxylic acid
SMILESCc1cccc(Cl)c1Nc1nc2ccc3c(c2n1C1(c2cccc(C(F)(F)F)c2)CC1)CC(C)(C)O3.O=C(O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C28H25ClF3N3O.C9H7NO2/c1-16-6-4-9-20(29)23(16)34-25-33-21-10-11-22-19(15-26(2,3)36-22)24(21)35(25)27(12-13-27)17-7-5-8-18(14-17)28(30,31)32;11-9(12)7-1-2-8-6(5-7)3-4-10-8/h4-11,14H,12-13,15H2,1-3H3,(H,33,34);1-5,10H,(H,11,12)
InChIKeyYYVCVJLBHIEMOH-UHFFFAOYSA-N
MW673.14 g/mol
LogP9.88
Rot. Bonds5

About N-(2-chloro-6-methylphenyl)-7,7-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-8H-furo[3,2-e]benzimidazol-2-amine;1H-indole-5-carboxylic acid

N-(2-chloro-6-methylphenyl)-7,7-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-8H-furo[3,2-e]benzimidazol-2-amine;1H-indole-5-carboxylic acid (PubChem CID 162053232) has the molecular formula C37H32ClF3N4O3 and a molecular weight of 673.14 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-7,7-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-8H-furo[3,2-e]benzimidazol-2-amine;1H-indole-5-carboxylic acid.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-7,7-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-8H-furo[3,2-e]benzimidazol-2-amine;1H-indole-5-carboxylic acid
PubChem CID162053232
Molecular FormulaC37H32ClF3N4O3
Molecular Weight673.14 g/mol
Exact Mass672.21
IUPAC NameN-(2-chloro-6-methylphenyl)-7,7-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-8H-furo[3,2-e]benzimidazol-2-amine;1H-indole-5-carboxylic acid
SMILESCc1cccc(Cl)c1Nc1nc2ccc3c(c2n1C1(c2cccc(C(F)(F)F)c2)CC1)CC(C)(C)O3.O=C(O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C28H25ClF3N3O.C9H7NO2/c1-16-6-4-9-20(29)23(16)34-25-33-21-10-11-22-19(15-26(2,3)36-22)24(21)35(25)27(12-13-27)17-7-5-8-18(14-17)28(30,31)32;11-9(12)7-1-2-8-6(5-7)3-4-10-8/h4-11,14H,12-13,15H2,1-3H3,(H,33,34);1-5,10H,(H,11,12)
InChIKeyYYVCVJLBHIEMOH-UHFFFAOYSA-N
XLogP9.88
TPSA92.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.14
LogP ≤ 59.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-chloro-6-methylphenyl)-7,7-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-8H-furo[3,2-e]benzimidazol-2-amine;1H-indole-5-carboxylic acid with MolForge

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Related Compounds

2-[(2-Chloro-6-methylphenyl)amino]-7,7-dimethyl-N-[5-(trifluoromethyl)pyridin-2-yl]-7,8-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
CID 67502703
2-((2,6-Dichlorophenyl)amino)-7,7-dimethyl-N-(6-(trifluoromethyl)pyridin-3-yl)-7,8-dihydro-1H-benzofuro[4,5-d]imidazole-5-carboxamide
CID 67502724
2-[(2-Chloro-6-fluorophenyl)amino]-7,7-dimethyl-N-[5-(trifluoromethyl)pyridin-2-yl]-7,8-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
CID 67503464
2-(2-chloro-6-fluoroanilino)-N-[6-(difluoromethyl)-3-pyridinyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 145968680
N-(5-Chloro-3-fluoropyridin-2-yl)-2-((2-chloro-6-methylphenyl)amino)-7,7-dimethyl-7,8-dihydro-1H-benzofuro[4,5-d]imidazole-5-carboxamide
CID 56968486
2-[(2-Chloro-6-fluorophenyl)amino]-N-[6-(difluoromethoxy)pyridin-3-yl]-7,7-dimethyl-7,8-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
CID 56970657
2-[(2-Chloro-6-fluorophenyl)amino]-N-[6-(cyclopropylmethoxy)pyridin-3-yl]-7,7-dimethyl-7,8-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
CID 56970892
2-((2-Chloro-6-methylphenyl)amino)-7,7-dimethyl-N-(1-(3-(trifluoromethyl)phenyl)cyclopropyl)-7,8-dihydro-1H-benzofuro[4,5-d]imidazole-5-carboxamide
CID 56971112
2-((2-Chloro-6-fluorophenyl)amino)-1,7,7-trimethyl-N-(6-(trifluoromethyl)pyridin-3-yl)-7,8-dihydro-1H-benzofuro[4,5-d]imidazole-5-carboxamide
CID 56971115
2-((2-Chloro-6-fluorophenyl)amino)-7,7-dimethyl-N-(6-(trifluoromethyl)pyridin-3-yl)-7,8-dihydro-1H-benzofuro[4,5-d]imidazole-5-carboxamide
CID 67503560
2-((2-Chloro-6-methylphenyl)amino)-7,7-dimethyl-N-(6-(trifluoromethyl)pyridin-3-yl)-7,8-dihydro-1H-benzofuro[4,5-d]imidazole-5-carboxamide
CID 67504345
2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-(6-methyl-3-pyridinyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 69473972

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-7,7-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-8H-furo[3,2-e]benzimidazol-2-amine;1H-indole-5-carboxylic acid?
The IUPAC name of N-(2-chloro-6-methylphenyl)-7,7-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-8H-furo[3,2-e]benzimidazol-2-amine;1H-indole-5-carboxylic acid (CID 162053232) is N-(2-chloro-6-methylphenyl)-7,7-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-8H-furo[3,2-e]benzimidazol-2-amine;1H-indole-5-carboxylic acid.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-7,7-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-8H-furo[3,2-e]benzimidazol-2-amine;1H-indole-5-carboxylic acid?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-7,7-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-8H-furo[3,2-e]benzimidazol-2-amine;1H-indole-5-carboxylic acid is Cc1cccc(Cl)c1Nc1nc2ccc3c(c2n1C1(c2cccc(C(F)(F)F)c2)CC1)CC(C)(C)O3.O=C(O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-7,7-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-8H-furo[3,2-e]benzimidazol-2-amine;1H-indole-5-carboxylic acid?
The InChIKey is YYVCVJLBHIEMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClF3N3O.C9H7NO2/c1-16-6-4-9-20(29)23(16)34-25-33-21-10-11-22-19(15-26(2,3)36-22)24(21)35(25)27(12-13-27)17-7-5-8-18(14-17)28(30,31)32;11-9(12)7-1-2-8-6(5-7)3-4-10-8/h4-11,14H,12-13,15H2,1-3H3,(H,33,34);1-5,10H,(H,11,12).
What are the key properties of N-(2-chloro-6-methylphenyl)-7,7-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-8H-furo[3,2-e]benzimidazol-2-amine;1H-indole-5-carboxylic acid?
N-(2-chloro-6-methylphenyl)-7,7-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-8H-furo[3,2-e]benzimidazol-2-amine;1H-indole-5-carboxylic acid has a molecular weight of 673.14 g/mol, XLogP of 9.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-7,7-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-8H-furo[3,2-e]benzimidazol-2-amine;1H-indole-5-carboxylic acid is sourced from PubChem (CID 162053232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).