[5-(2-chlorophenyl)-2,3-dimethylbenzimidazol-4-yl]methanamine

C16H16ClN3 — CID 11594414

IUPAC[5-(2-chlorophenyl)-2,3-dimethylbenzimidazol-4-yl]methanamine
SMILESCc1nc2ccc(-c3ccccc3Cl)c(CN)c2n1C
InChIInChI=1S/C16H16ClN3/c1-10-19-15-8-7-11(12-5-3-4-6-14(12)17)13(9-18)16(15)20(10)2/h3-8H,9,18H2,1-2H3
InChIKeyTYMOFZLIXWLUBL-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.66
Rot. Bonds2

About [5-(2-chlorophenyl)-2,3-dimethylbenzimidazol-4-yl]methanamine

[5-(2-chlorophenyl)-2,3-dimethylbenzimidazol-4-yl]methanamine (PubChem CID 11594414) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-2,3-dimethylbenzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-2,3-dimethylbenzimidazol-4-yl]methanamine
PubChem CID11594414
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name[5-(2-chlorophenyl)-2,3-dimethylbenzimidazol-4-yl]methanamine
SMILESCc1nc2ccc(-c3ccccc3Cl)c(CN)c2n1C
InChIInChI=1S/C16H16ClN3/c1-10-19-15-8-7-11(12-5-3-4-6-14(12)17)13(9-18)16(15)20(10)2/h3-8H,9,18H2,1-2H3
InChIKeyTYMOFZLIXWLUBL-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-2,3-dimethylbenzimidazol-4-yl]methanamine?
The IUPAC name of [5-(2-chlorophenyl)-2,3-dimethylbenzimidazol-4-yl]methanamine (CID 11594414) is [5-(2-chlorophenyl)-2,3-dimethylbenzimidazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-chlorophenyl)-2,3-dimethylbenzimidazol-4-yl]methanamine?
The canonical SMILES for [5-(2-chlorophenyl)-2,3-dimethylbenzimidazol-4-yl]methanamine is Cc1nc2ccc(-c3ccccc3Cl)c(CN)c2n1C.
What is the InChIKey of [5-(2-chlorophenyl)-2,3-dimethylbenzimidazol-4-yl]methanamine?
The InChIKey is TYMOFZLIXWLUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-10-19-15-8-7-11(12-5-3-4-6-14(12)17)13(9-18)16(15)20(10)2/h3-8H,9,18H2,1-2H3.
What are the key properties of [5-(2-chlorophenyl)-2,3-dimethylbenzimidazol-4-yl]methanamine?
[5-(2-chlorophenyl)-2,3-dimethylbenzimidazol-4-yl]methanamine has a molecular weight of 285.78 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-2,3-dimethylbenzimidazol-4-yl]methanamine is sourced from PubChem (CID 11594414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).