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

C17H18ClN3O — CID 11565911

IUPAC[5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazol-4-yl]methanamine
SMILESCOCc1nc2ccc(-c3ccccc3Cl)c(CN)c2n1C
InChIInChI=1S/C17H18ClN3O/c1-21-16(10-22-2)20-15-8-7-11(13(9-19)17(15)21)12-5-3-4-6-14(12)18/h3-8H,9-10,19H2,1-2H3
InChIKeyWHSMCADOLADAQM-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.50
Rot. Bonds4

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

[5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazol-4-yl]methanamine (PubChem CID 11565911) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazol-4-yl]methanamine
PubChem CID11565911
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name[5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazol-4-yl]methanamine
SMILESCOCc1nc2ccc(-c3ccccc3Cl)c(CN)c2n1C
InChIInChI=1S/C17H18ClN3O/c1-21-16(10-22-2)20-15-8-7-11(13(9-19)17(15)21)12-5-3-4-6-14(12)18/h3-8H,9-10,19H2,1-2H3
InChIKeyWHSMCADOLADAQM-UHFFFAOYSA-N
XLogP3.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazol-4-yl]methanamine?
The IUPAC name of [5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazol-4-yl]methanamine (CID 11565911) is [5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazol-4-yl]methanamine?
The canonical SMILES for [5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazol-4-yl]methanamine is COCc1nc2ccc(-c3ccccc3Cl)c(CN)c2n1C.
What is the InChIKey of [5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazol-4-yl]methanamine?
The InChIKey is WHSMCADOLADAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-21-16(10-22-2)20-15-8-7-11(13(9-19)17(15)21)12-5-3-4-6-14(12)18/h3-8H,9-10,19H2,1-2H3.
What are the key properties of [5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazol-4-yl]methanamine?
[5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazol-4-yl]methanamine has a molecular weight of 315.80 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazol-4-yl]methanamine is sourced from PubChem (CID 11565911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).