5-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1-methylbenzimidazol-2-amine

C23H21ClN4 — CID 71022780

IUPAC5-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1-methylbenzimidazol-2-amine
SMILESCn1c(NC2CCC2)nc2cc(-c3ccc(-c4ccc(Cl)cc4)cn3)ccc21
InChIInChI=1S/C23H21ClN4/c1-28-22-12-8-16(13-21(22)27-23(28)26-19-3-2-4-19)20-11-7-17(14-25-20)15-5-9-18(24)10-6-15/h5-14,19H,2-4H2,1H3,(H,26,27)
InChIKeyHSGBFUDPJKDGHT-UHFFFAOYSA-N
MW388.90 g/mol
LogP5.92
Rot. Bonds4

About 5-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1-methylbenzimidazol-2-amine

5-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1-methylbenzimidazol-2-amine (PubChem CID 71022780) has the molecular formula C23H21ClN4 and a molecular weight of 388.90 g/mol. Its IUPAC name is 5-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name5-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1-methylbenzimidazol-2-amine
PubChem CID71022780
Molecular FormulaC23H21ClN4
Molecular Weight388.90 g/mol
Exact Mass388.15
IUPAC Name5-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1-methylbenzimidazol-2-amine
SMILESCn1c(NC2CCC2)nc2cc(-c3ccc(-c4ccc(Cl)cc4)cn3)ccc21
InChIInChI=1S/C23H21ClN4/c1-28-22-12-8-16(13-21(22)27-23(28)26-19-3-2-4-19)20-11-7-17(14-25-20)15-5-9-18(24)10-6-15/h5-14,19H,2-4H2,1H3,(H,26,27)
InChIKeyHSGBFUDPJKDGHT-UHFFFAOYSA-N
XLogP5.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1-methylbenzimidazol-2-amine?
The IUPAC name of 5-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1-methylbenzimidazol-2-amine (CID 71022780) is 5-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1-methylbenzimidazol-2-amine.
What is the SMILES notation for 5-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1-methylbenzimidazol-2-amine?
The canonical SMILES for 5-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1-methylbenzimidazol-2-amine is Cn1c(NC2CCC2)nc2cc(-c3ccc(-c4ccc(Cl)cc4)cn3)ccc21.
What is the InChIKey of 5-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1-methylbenzimidazol-2-amine?
The InChIKey is HSGBFUDPJKDGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4/c1-28-22-12-8-16(13-21(22)27-23(28)26-19-3-2-4-19)20-11-7-17(14-25-20)15-5-9-18(24)10-6-15/h5-14,19H,2-4H2,1H3,(H,26,27).
What are the key properties of 5-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1-methylbenzimidazol-2-amine?
5-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1-methylbenzimidazol-2-amine has a molecular weight of 388.90 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-chlorophenyl)-2-pyridinyl]-N-cyclobutyl-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 71022780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).