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

C24H23ClN4 — CID 71022889

IUPAC6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclopentyl-N-methyl-1H-benzimidazol-2-amine
SMILESCN(c1nc2ccc(-c3ccc(-c4ccc(Cl)cc4)cn3)cc2[nH]1)C1CCCC1
InChIInChI=1S/C24H23ClN4/c1-29(20-4-2-3-5-20)24-27-22-13-8-17(14-23(22)28-24)21-12-9-18(15-26-21)16-6-10-19(25)11-7-16/h6-15,20H,2-5H2,1H3,(H,27,28)
InChIKeyDZWZDDMBRLZUSN-UHFFFAOYSA-N
MW402.93 g/mol
LogP6.32
Rot. Bonds4

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

6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclopentyl-N-methyl-1H-benzimidazol-2-amine (PubChem CID 71022889) has the molecular formula C24H23ClN4 and a molecular weight of 402.93 g/mol. Its IUPAC name is 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclopentyl-N-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclopentyl-N-methyl-1H-benzimidazol-2-amine
PubChem CID71022889
Molecular FormulaC24H23ClN4
Molecular Weight402.93 g/mol
Exact Mass402.16
IUPAC Name6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclopentyl-N-methyl-1H-benzimidazol-2-amine
SMILESCN(c1nc2ccc(-c3ccc(-c4ccc(Cl)cc4)cn3)cc2[nH]1)C1CCCC1
InChIInChI=1S/C24H23ClN4/c1-29(20-4-2-3-5-20)24-27-22-13-8-17(14-23(22)28-24)21-12-9-18(15-26-21)16-6-10-19(25)11-7-16/h6-15,20H,2-5H2,1H3,(H,27,28)
InChIKeyDZWZDDMBRLZUSN-UHFFFAOYSA-N
XLogP6.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.93
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclopentyl-N-methyl-1H-benzimidazol-2-amine?
The IUPAC name of 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclopentyl-N-methyl-1H-benzimidazol-2-amine (CID 71022889) is 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclopentyl-N-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclopentyl-N-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclopentyl-N-methyl-1H-benzimidazol-2-amine is CN(c1nc2ccc(-c3ccc(-c4ccc(Cl)cc4)cn3)cc2[nH]1)C1CCCC1.
What is the InChIKey of 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclopentyl-N-methyl-1H-benzimidazol-2-amine?
The InChIKey is DZWZDDMBRLZUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4/c1-29(20-4-2-3-5-20)24-27-22-13-8-17(14-23(22)28-24)21-12-9-18(15-26-21)16-6-10-19(25)11-7-16/h6-15,20H,2-5H2,1H3,(H,27,28).
What are the key properties of 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclopentyl-N-methyl-1H-benzimidazol-2-amine?
6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclopentyl-N-methyl-1H-benzimidazol-2-amine has a molecular weight of 402.93 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclopentyl-N-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 71022889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).