N-(4-chloro-1H-indol-6-yl)-6-(4,4-difluorocyclohexyl)-1H-benzimidazol-2-amine

C21H19ClF2N4 — CID 164539962

IUPACN-(4-chloro-1H-indol-6-yl)-6-(4,4-difluorocyclohexyl)-1H-benzimidazol-2-amine
SMILESFC1(F)CCC(c2ccc3nc(Nc4cc(Cl)c5cc[nH]c5c4)[nH]c3c2)CC1
InChIInChI=1S/C21H19ClF2N4/c22-16-10-14(11-18-15(16)5-8-25-18)26-20-27-17-2-1-13(9-19(17)28-20)12-3-6-21(23,24)7-4-12/h1-2,5,8-12,25H,3-4,6-7H2,(H2,26,27,28)
InChIKeyJZWGUXFQYFFYER-UHFFFAOYSA-N
MW400.86 g/mol
LogP6.73
Rot. Bonds3

About N-(4-chloro-1H-indol-6-yl)-6-(4,4-difluorocyclohexyl)-1H-benzimidazol-2-amine

N-(4-chloro-1H-indol-6-yl)-6-(4,4-difluorocyclohexyl)-1H-benzimidazol-2-amine (PubChem CID 164539962) has the molecular formula C21H19ClF2N4 and a molecular weight of 400.86 g/mol. Its IUPAC name is N-(4-chloro-1H-indol-6-yl)-6-(4,4-difluorocyclohexyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-1H-indol-6-yl)-6-(4,4-difluorocyclohexyl)-1H-benzimidazol-2-amine
PubChem CID164539962
Molecular FormulaC21H19ClF2N4
Molecular Weight400.86 g/mol
Exact Mass400.13
IUPAC NameN-(4-chloro-1H-indol-6-yl)-6-(4,4-difluorocyclohexyl)-1H-benzimidazol-2-amine
SMILESFC1(F)CCC(c2ccc3nc(Nc4cc(Cl)c5cc[nH]c5c4)[nH]c3c2)CC1
InChIInChI=1S/C21H19ClF2N4/c22-16-10-14(11-18-15(16)5-8-25-18)26-20-27-17-2-1-13(9-19(17)28-20)12-3-6-21(23,24)7-4-12/h1-2,5,8-12,25H,3-4,6-7H2,(H2,26,27,28)
InChIKeyJZWGUXFQYFFYER-UHFFFAOYSA-N
XLogP6.73
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.86
LogP ≤ 56.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-(4-chloro-1H-indol-6-yl)-6-(4,4-difluorocyclohexyl)-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-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine
CID 164540030
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
4,6-dichloro-N-(4-methyl-1H-indol-6-yl)-1H-benzimidazol-2-amine
CID 167126757
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
6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride
CID 24970552
5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine
CID 24970680
2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride
CID 24970676
N-(6-piperidin-4-yl-1H-benzimidazol-2-yl)-6-(trifluoromethyl)quinolin-2-amine
CID 172554010
7-cyclopropyl-1H-quinolin-4-one
CID 169178184
N-[6-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 172553984

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1H-indol-6-yl)-6-(4,4-difluorocyclohexyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(4-chloro-1H-indol-6-yl)-6-(4,4-difluorocyclohexyl)-1H-benzimidazol-2-amine (CID 164539962) is N-(4-chloro-1H-indol-6-yl)-6-(4,4-difluorocyclohexyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(4-chloro-1H-indol-6-yl)-6-(4,4-difluorocyclohexyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(4-chloro-1H-indol-6-yl)-6-(4,4-difluorocyclohexyl)-1H-benzimidazol-2-amine is FC1(F)CCC(c2ccc3nc(Nc4cc(Cl)c5cc[nH]c5c4)[nH]c3c2)CC1.
What is the InChIKey of N-(4-chloro-1H-indol-6-yl)-6-(4,4-difluorocyclohexyl)-1H-benzimidazol-2-amine?
The InChIKey is JZWGUXFQYFFYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N4/c22-16-10-14(11-18-15(16)5-8-25-18)26-20-27-17-2-1-13(9-19(17)28-20)12-3-6-21(23,24)7-4-12/h1-2,5,8-12,25H,3-4,6-7H2,(H2,26,27,28).
What are the key properties of N-(4-chloro-1H-indol-6-yl)-6-(4,4-difluorocyclohexyl)-1H-benzimidazol-2-amine?
N-(4-chloro-1H-indol-6-yl)-6-(4,4-difluorocyclohexyl)-1H-benzimidazol-2-amine has a molecular weight of 400.86 g/mol, XLogP of 6.73, 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-(4,4-difluorocyclohexyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 164539962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).