[5-(2-chlorophenyl)-2-ethyl-3-methylbenzimidazol-4-yl]methanamine

C17H18ClN3 — CID 11529539

IUPAC[5-(2-chlorophenyl)-2-ethyl-3-methylbenzimidazol-4-yl]methanamine
SMILESCCc1nc2ccc(-c3ccccc3Cl)c(CN)c2n1C
InChIInChI=1S/C17H18ClN3/c1-3-16-20-15-9-8-11(12-6-4-5-7-14(12)18)13(10-19)17(15)21(16)2/h4-9H,3,10,19H2,1-2H3
InChIKeyBNWLARSNEDMGQQ-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.91
Rot. Bonds3

About [5-(2-chlorophenyl)-2-ethyl-3-methylbenzimidazol-4-yl]methanamine

[5-(2-chlorophenyl)-2-ethyl-3-methylbenzimidazol-4-yl]methanamine (PubChem CID 11529539) has the molecular formula C17H18ClN3 and a molecular weight of 299.80 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-2-ethyl-3-methylbenzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-2-ethyl-3-methylbenzimidazol-4-yl]methanamine
PubChem CID11529539
Molecular FormulaC17H18ClN3
Molecular Weight299.80 g/mol
Exact Mass299.12
IUPAC Name[5-(2-chlorophenyl)-2-ethyl-3-methylbenzimidazol-4-yl]methanamine
SMILESCCc1nc2ccc(-c3ccccc3Cl)c(CN)c2n1C
InChIInChI=1S/C17H18ClN3/c1-3-16-20-15-9-8-11(12-6-4-5-7-14(12)18)13(10-19)17(15)21(16)2/h4-9H,3,10,19H2,1-2H3
InChIKeyBNWLARSNEDMGQQ-UHFFFAOYSA-N
XLogP3.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-2-ethyl-3-methylbenzimidazol-4-yl]methanamine?
The IUPAC name of [5-(2-chlorophenyl)-2-ethyl-3-methylbenzimidazol-4-yl]methanamine (CID 11529539) is [5-(2-chlorophenyl)-2-ethyl-3-methylbenzimidazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-chlorophenyl)-2-ethyl-3-methylbenzimidazol-4-yl]methanamine?
The canonical SMILES for [5-(2-chlorophenyl)-2-ethyl-3-methylbenzimidazol-4-yl]methanamine is CCc1nc2ccc(-c3ccccc3Cl)c(CN)c2n1C.
What is the InChIKey of [5-(2-chlorophenyl)-2-ethyl-3-methylbenzimidazol-4-yl]methanamine?
The InChIKey is BNWLARSNEDMGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-3-16-20-15-9-8-11(12-6-4-5-7-14(12)18)13(10-19)17(15)21(16)2/h4-9H,3,10,19H2,1-2H3.
What are the key properties of [5-(2-chlorophenyl)-2-ethyl-3-methylbenzimidazol-4-yl]methanamine?
[5-(2-chlorophenyl)-2-ethyl-3-methylbenzimidazol-4-yl]methanamine has a molecular weight of 299.80 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-2-ethyl-3-methylbenzimidazol-4-yl]methanamine is sourced from PubChem (CID 11529539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).