6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1H-benzimidazol-2-amine

C22H19ClN4 — CID 71022788

IUPAC6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1H-benzimidazol-2-amine
SMILESClc1ccc(-c2ccc(-c3ccc4nc(NC5CCC5)[nH]c4c3)nc2)cc1
InChIInChI=1S/C22H19ClN4/c23-17-8-4-14(5-9-17)16-7-10-19(24-13-16)15-6-11-20-21(12-15)27-22(26-20)25-18-2-1-3-18/h4-13,18H,1-3H2,(H2,25,26,27)
InChIKeySEETXILPAVXNFW-UHFFFAOYSA-N
MW374.88 g/mol
LogP5.91
Rot. Bonds4

About 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1H-benzimidazol-2-amine

6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1H-benzimidazol-2-amine (PubChem CID 71022788) has the molecular formula C22H19ClN4 and a molecular weight of 374.88 g/mol. Its IUPAC name is 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1H-benzimidazol-2-amine
PubChem CID71022788
Molecular FormulaC22H19ClN4
Molecular Weight374.88 g/mol
Exact Mass374.13
IUPAC Name6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1H-benzimidazol-2-amine
SMILESClc1ccc(-c2ccc(-c3ccc4nc(NC5CCC5)[nH]c4c3)nc2)cc1
InChIInChI=1S/C22H19ClN4/c23-17-8-4-14(5-9-17)16-7-10-19(24-13-16)15-6-11-20-21(12-15)27-22(26-20)25-18-2-1-3-18/h4-13,18H,1-3H2,(H2,25,26,27)
InChIKeySEETXILPAVXNFW-UHFFFAOYSA-N
XLogP5.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.88
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclopentyl-N-methyl-1H-benzimidazol-2-amine
CID 71022889
6-[5-(4-chlorophenyl)-2-pyridinyl]-N-(3,3-dimethylbutan-2-yl)-1H-benzimidazol-2-amine
CID 71022732
5-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1-methylbenzimidazol-2-amine
CID 71022780
6-[5-(4-chlorophenyl)-2-pyridinyl]-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole
CID 71022829
N-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82563289
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
N-(3,3-dimethylcyclohexyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295052
6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82562708
6-[5-(4-chlorophenyl)-2-pyridinyl]-N,4-dimethyl-N-propan-2-ylquinolin-2-amine
CID 71022685
6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine
CID 103295064
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
(2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol
CID 71022765

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1H-benzimidazol-2-amine?
The IUPAC name of 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1H-benzimidazol-2-amine (CID 71022788) is 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1H-benzimidazol-2-amine?
The canonical SMILES for 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1H-benzimidazol-2-amine is Clc1ccc(-c2ccc(-c3ccc4nc(NC5CCC5)[nH]c4c3)nc2)cc1.
What is the InChIKey of 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1H-benzimidazol-2-amine?
The InChIKey is SEETXILPAVXNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4/c23-17-8-4-14(5-9-17)16-7-10-19(24-13-16)15-6-11-20-21(12-15)27-22(26-20)25-18-2-1-3-18/h4-13,18H,1-3H2,(H2,25,26,27).
What are the key properties of 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1H-benzimidazol-2-amine?
6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1H-benzimidazol-2-amine has a molecular weight of 374.88 g/mol, XLogP of 5.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 71022788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).