6-[5-(4-chlorophenyl)-2-pyridinyl]-N-(3,3-dimethylbutan-2-yl)-1H-benzimidazol-2-amine

C24H25ClN4 — CID 71022732

IUPAC6-[5-(4-chlorophenyl)-2-pyridinyl]-N-(3,3-dimethylbutan-2-yl)-1H-benzimidazol-2-amine
SMILESCC(Nc1nc2ccc(-c3ccc(-c4ccc(Cl)cc4)cn3)cc2[nH]1)C(C)(C)C
InChIInChI=1S/C24H25ClN4/c1-15(24(2,3)4)27-23-28-21-12-7-17(13-22(21)29-23)20-11-8-18(14-26-20)16-5-9-19(25)10-6-16/h5-15H,1-4H3,(H2,27,28,29)
InChIKeyKJYHDTHFJNUDKC-UHFFFAOYSA-N
MW404.95 g/mol
LogP6.79
Rot. Bonds4

About 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-(3,3-dimethylbutan-2-yl)-1H-benzimidazol-2-amine

6-[5-(4-chlorophenyl)-2-pyridinyl]-N-(3,3-dimethylbutan-2-yl)-1H-benzimidazol-2-amine (PubChem CID 71022732) has the molecular formula C24H25ClN4 and a molecular weight of 404.95 g/mol. Its IUPAC name is 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-(3,3-dimethylbutan-2-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-[5-(4-chlorophenyl)-2-pyridinyl]-N-(3,3-dimethylbutan-2-yl)-1H-benzimidazol-2-amine
PubChem CID71022732
Molecular FormulaC24H25ClN4
Molecular Weight404.95 g/mol
Exact Mass404.18
IUPAC Name6-[5-(4-chlorophenyl)-2-pyridinyl]-N-(3,3-dimethylbutan-2-yl)-1H-benzimidazol-2-amine
SMILESCC(Nc1nc2ccc(-c3ccc(-c4ccc(Cl)cc4)cn3)cc2[nH]1)C(C)(C)C
InChIInChI=1S/C24H25ClN4/c1-15(24(2,3)4)27-23-28-21-12-7-17(13-22(21)29-23)20-11-8-18(14-26-20)16-5-9-19(25)10-6-16/h5-15H,1-4H3,(H2,27,28,29)
InChIKeyKJYHDTHFJNUDKC-UHFFFAOYSA-N
XLogP6.79
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.95
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-(3,3-dimethylbutan-2-yl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-(3,3-dimethylbutan-2-yl)-1H-benzimidazol-2-amine (CID 71022732) is 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-(3,3-dimethylbutan-2-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-(3,3-dimethylbutan-2-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-(3,3-dimethylbutan-2-yl)-1H-benzimidazol-2-amine is CC(Nc1nc2ccc(-c3ccc(-c4ccc(Cl)cc4)cn3)cc2[nH]1)C(C)(C)C.
What is the InChIKey of 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-(3,3-dimethylbutan-2-yl)-1H-benzimidazol-2-amine?
The InChIKey is KJYHDTHFJNUDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4/c1-15(24(2,3)4)27-23-28-21-12-7-17(13-22(21)29-23)20-11-8-18(14-26-20)16-5-9-19(25)10-6-16/h5-15H,1-4H3,(H2,27,28,29).
What are the key properties of 6-[5-(4-chlorophenyl)-2-pyridinyl]-N-(3,3-dimethylbutan-2-yl)-1H-benzimidazol-2-amine?
6-[5-(4-chlorophenyl)-2-pyridinyl]-N-(3,3-dimethylbutan-2-yl)-1H-benzimidazol-2-amine has a molecular weight of 404.95 g/mol, XLogP of 6.79, 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-(3,3-dimethylbutan-2-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 71022732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).