3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine

C16H18N4 — CID 115126073

IUPAC3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine
SMILESCc1nc2ccc(CNc3c(C)cccc3N)cc2[nH]1
InChIInChI=1S/C16H18N4/c1-10-4-3-5-13(17)16(10)18-9-12-6-7-14-15(8-12)20-11(2)19-14/h3-8,18H,9,17H2,1-2H3,(H,19,20)
InChIKeyPHRLIKBZOBZARQ-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.37
Rot. Bonds3

About 3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine

3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine (PubChem CID 115126073) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine
PubChem CID115126073
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine
SMILESCc1nc2ccc(CNc3c(C)cccc3N)cc2[nH]1
InChIInChI=1S/C16H18N4/c1-10-4-3-5-13(17)16(10)18-9-12-6-7-14-15(8-12)20-11(2)19-14/h3-8,18H,9,17H2,1-2H3,(H,19,20)
InChIKeyPHRLIKBZOBZARQ-UHFFFAOYSA-N
XLogP3.37
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115124486
3-methyl-2-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzene-1,2-diamine
CID 115126070
N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115260836
3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine
CID 115134746
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115244142
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62121977
N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine
CID 115195888
2-methyl-N-[(3-nitrophenyl)methyl]-3H-benzimidazol-5-amine
CID 43232967
N-(2,3-dimethylphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 46393076
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
CID 43746360
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine (CID 115126073) is 3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine is Cc1nc2ccc(CNc3c(C)cccc3N)cc2[nH]1.
What is the InChIKey of 3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine?
The InChIKey is PHRLIKBZOBZARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-10-4-3-5-13(17)16(10)18-9-12-6-7-14-15(8-12)20-11(2)19-14/h3-8,18H,9,17H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine?
3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine has a molecular weight of 266.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 115126073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).