[4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine

C17H19N3O — CID 82150134

IUPAC[4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
SMILESCOCc1nc2ccccc2n1Cc1ccc(CN)cc1
InChIInChI=1S/C17H19N3O/c1-21-12-17-19-15-4-2-3-5-16(15)20(17)11-14-8-6-13(10-18)7-9-14/h2-9H,10-12,18H2,1H3
InChIKeyJVFAXZNYCOMOPG-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.69
Rot. Bonds5

About [4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine

[4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine (PubChem CID 82150134) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
PubChem CID82150134
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
SMILESCOCc1nc2ccccc2n1Cc1ccc(CN)cc1
InChIInChI=1S/C17H19N3O/c1-21-12-17-19-15-4-2-3-5-16(15)20(17)11-14-8-6-13(10-18)7-9-14/h2-9H,10-12,18H2,1H3
InChIKeyJVFAXZNYCOMOPG-UHFFFAOYSA-N
XLogP2.69
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine (CID 82150134) is [4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine is COCc1nc2ccccc2n1Cc1ccc(CN)cc1.
What is the InChIKey of [4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine?
The InChIKey is JVFAXZNYCOMOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-21-12-17-19-15-4-2-3-5-16(15)20(17)11-14-8-6-13(10-18)7-9-14/h2-9H,10-12,18H2,1H3.
What are the key properties of [4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine?
[4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine has a molecular weight of 281.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 82150134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).