[5-chloro-2-(5,6-dimethylbenzimidazol-1-yl)phenyl]methanamine

C16H16ClN3 — CID 62492660

IUPAC[5-chloro-2-(5,6-dimethylbenzimidazol-1-yl)phenyl]methanamine
SMILESCc1cc2ncn(-c3ccc(Cl)cc3CN)c2cc1C
InChIInChI=1S/C16H16ClN3/c1-10-5-14-16(6-11(10)2)20(9-19-14)15-4-3-13(17)7-12(15)8-18/h3-7,9H,8,18H2,1-2H3
InChIKeyNQWSDQFCJLSNRO-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.75
Rot. Bonds2

About [5-chloro-2-(5,6-dimethylbenzimidazol-1-yl)phenyl]methanamine

[5-chloro-2-(5,6-dimethylbenzimidazol-1-yl)phenyl]methanamine (PubChem CID 62492660) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is [5-chloro-2-(5,6-dimethylbenzimidazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(5,6-dimethylbenzimidazol-1-yl)phenyl]methanamine
PubChem CID62492660
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name[5-chloro-2-(5,6-dimethylbenzimidazol-1-yl)phenyl]methanamine
SMILESCc1cc2ncn(-c3ccc(Cl)cc3CN)c2cc1C
InChIInChI=1S/C16H16ClN3/c1-10-5-14-16(6-11(10)2)20(9-19-14)15-4-3-13(17)7-12(15)8-18/h3-7,9H,8,18H2,1-2H3
InChIKeyNQWSDQFCJLSNRO-UHFFFAOYSA-N
XLogP3.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(5,6-dimethylbenzimidazol-1-yl)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(5,6-dimethylbenzimidazol-1-yl)phenyl]methanamine (CID 62492660) is [5-chloro-2-(5,6-dimethylbenzimidazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(5,6-dimethylbenzimidazol-1-yl)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(5,6-dimethylbenzimidazol-1-yl)phenyl]methanamine is Cc1cc2ncn(-c3ccc(Cl)cc3CN)c2cc1C.
What is the InChIKey of [5-chloro-2-(5,6-dimethylbenzimidazol-1-yl)phenyl]methanamine?
The InChIKey is NQWSDQFCJLSNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-10-5-14-16(6-11(10)2)20(9-19-14)15-4-3-13(17)7-12(15)8-18/h3-7,9H,8,18H2,1-2H3.
What are the key properties of [5-chloro-2-(5,6-dimethylbenzimidazol-1-yl)phenyl]methanamine?
[5-chloro-2-(5,6-dimethylbenzimidazol-1-yl)phenyl]methanamine has a molecular weight of 285.78 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(5,6-dimethylbenzimidazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 62492660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).