N-(4-chloro-1H-indol-6-yl)-6-[4-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine

C22H20ClF3N4 — CID 164540030

IUPACN-(4-chloro-1H-indol-6-yl)-6-[4-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine
SMILESFC(F)(F)C1CCC(c2ccc3nc(Nc4cc(Cl)c5cc[nH]c5c4)[nH]c3c2)CC1
InChIInChI=1S/C22H20ClF3N4/c23-17-10-15(11-19-16(17)7-8-27-19)28-21-29-18-6-3-13(9-20(18)30-21)12-1-4-14(5-2-12)22(24,25)26/h3,6-12,14,27H,1-2,4-5H2,(H2,28,29,30)
InChIKeyAYLLNWVYSNUUEX-UHFFFAOYSA-N
MW432.88 g/mol
LogP7.28
Rot. Bonds3

About N-(4-chloro-1H-indol-6-yl)-6-[4-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine

N-(4-chloro-1H-indol-6-yl)-6-[4-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine (PubChem CID 164540030) has the molecular formula C22H20ClF3N4 and a molecular weight of 432.88 g/mol. Its IUPAC name is N-(4-chloro-1H-indol-6-yl)-6-[4-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-1H-indol-6-yl)-6-[4-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine
PubChem CID164540030
Molecular FormulaC22H20ClF3N4
Molecular Weight432.88 g/mol
Exact Mass432.13
IUPAC NameN-(4-chloro-1H-indol-6-yl)-6-[4-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine
SMILESFC(F)(F)C1CCC(c2ccc3nc(Nc4cc(Cl)c5cc[nH]c5c4)[nH]c3c2)CC1
InChIInChI=1S/C22H20ClF3N4/c23-17-10-15(11-19-16(17)7-8-27-19)28-21-29-18-6-3-13(9-20(18)30-21)12-1-4-14(5-2-12)22(24,25)26/h3,6-12,14,27H,1-2,4-5H2,(H2,28,29,30)
InChIKeyAYLLNWVYSNUUEX-UHFFFAOYSA-N
XLogP7.28
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.88
LogP ≤ 57.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-(4-chloro-1H-indol-6-yl)-6-[4-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-chloro-1H-indol-6-yl)-6-(4,4-difluorocyclohexyl)-1H-benzimidazol-2-amine
CID 164539962
1-[4-[2-[(4-chloro-1H-indol-6-yl)amino]-3H-benzimidazol-5-yl]piperidin-1-yl]ethanone
CID 164540010
N-(4-fluoro-1H-indol-6-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 164539998
6-[(4-chloro-1H-indol-6-yl)amino]-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 164538891
2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 45137916
N-(6-piperidin-4-yl-1H-benzimidazol-2-yl)-6-(trifluoromethyl)quinolin-2-amine
CID 172554010
4-chloro-N-[5-chloro-6-(1,1-difluoroethyl)-2-pyridinyl]-1H-indol-6-amine
CID 155746684
4,6-dichloro-N-(4-methyl-1H-indol-6-yl)-1H-benzimidazol-2-amine
CID 167126757
N-[6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 172553984
7-cyclopropyl-1H-quinolin-4-one
CID 169178184
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
5,6-dichloro-N-(3-fluoro-1H-indol-6-yl)-1H-benzimidazol-2-amine
CID 164540014

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1H-indol-6-yl)-6-[4-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-(4-chloro-1H-indol-6-yl)-6-[4-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine (CID 164540030) is N-(4-chloro-1H-indol-6-yl)-6-[4-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(4-chloro-1H-indol-6-yl)-6-[4-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-(4-chloro-1H-indol-6-yl)-6-[4-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine is FC(F)(F)C1CCC(c2ccc3nc(Nc4cc(Cl)c5cc[nH]c5c4)[nH]c3c2)CC1.
What is the InChIKey of N-(4-chloro-1H-indol-6-yl)-6-[4-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine?
The InChIKey is AYLLNWVYSNUUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N4/c23-17-10-15(11-19-16(17)7-8-27-19)28-21-29-18-6-3-13(9-20(18)30-21)12-1-4-14(5-2-12)22(24,25)26/h3,6-12,14,27H,1-2,4-5H2,(H2,28,29,30).
What are the key properties of N-(4-chloro-1H-indol-6-yl)-6-[4-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine?
N-(4-chloro-1H-indol-6-yl)-6-[4-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine has a molecular weight of 432.88 g/mol, XLogP of 7.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1H-indol-6-yl)-6-[4-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 164540030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).