3,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline

C17H19N3 — CID 827882

IUPAC3,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
SMILESCc1ccc(NCc2nc3ccccc3n2C)cc1C
InChIInChI=1S/C17H19N3/c1-12-8-9-14(10-13(12)2)18-11-17-19-15-6-4-5-7-16(15)20(17)3/h4-10,18H,11H2,1-3H3
InChIKeyQBCJVIIPDOTWHF-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.80
Rot. Bonds3

About 3,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline

3,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline (PubChem CID 827882) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
PubChem CID827882
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name3,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
SMILESCc1ccc(NCc2nc3ccccc3n2C)cc1C
InChIInChI=1S/C17H19N3/c1-12-8-9-14(10-13(12)2)18-11-17-19-15-6-4-5-7-16(15)20(17)3/h4-10,18H,11H2,1-3H3
InChIKeyQBCJVIIPDOTWHF-UHFFFAOYSA-N
XLogP3.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The IUPAC name of 3,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline (CID 827882) is 3,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 3,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The canonical SMILES for 3,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline is Cc1ccc(NCc2nc3ccccc3n2C)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The InChIKey is QBCJVIIPDOTWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-8-9-14(10-13(12)2)18-11-17-19-15-6-4-5-7-16(15)20(17)3/h4-10,18H,11H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
3,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline has a molecular weight of 265.36 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 827882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).