2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine

C15H16N4 — CID 115124487

IUPAC2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine
SMILESCn1cnc2cc(CNc3ccccc3N)ccc21
InChIInChI=1S/C15H16N4/c1-19-10-18-14-8-11(6-7-15(14)19)9-17-13-5-3-2-4-12(13)16/h2-8,10,17H,9,16H2,1H3
InChIKeyRZLZYWMCWGKETR-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.77
Rot. Bonds3

About 2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine

2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine (PubChem CID 115124487) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine
PubChem CID115124487
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine
SMILESCn1cnc2cc(CNc3ccccc3N)ccc21
InChIInChI=1S/C15H16N4/c1-19-10-18-14-8-11(6-7-15(14)19)9-17-13-5-3-2-4-12(13)16/h2-8,10,17H,9,16H2,1H3
InChIKeyRZLZYWMCWGKETR-UHFFFAOYSA-N
XLogP2.77
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine (CID 115124487) is 2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine is Cn1cnc2cc(CNc3ccccc3N)ccc21.
What is the InChIKey of 2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine?
The InChIKey is RZLZYWMCWGKETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-19-10-18-14-8-11(6-7-15(14)19)9-17-13-5-3-2-4-12(13)16/h2-8,10,17H,9,16H2,1H3.
What are the key properties of 2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine?
2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine has a molecular weight of 252.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 115124487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).