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

C16H18N4 — CID 115125068

IUPAC4-methyl-1-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine
SMILESCc1ccc(NCc2ccc3c(c2)ncn3C)c(N)c1
InChIInChI=1S/C16H18N4/c1-11-3-5-14(13(17)7-11)18-9-12-4-6-16-15(8-12)19-10-20(16)2/h3-8,10,18H,9,17H2,1-2H3
InChIKeyWEJCWDROPMSNGL-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.08
Rot. Bonds3

About 4-methyl-1-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine

4-methyl-1-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine (PubChem CID 115125068) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-methyl-1-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-1-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine
PubChem CID115125068
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name4-methyl-1-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine
SMILESCc1ccc(NCc2ccc3c(c2)ncn3C)c(N)c1
InChIInChI=1S/C16H18N4/c1-11-3-5-14(13(17)7-11)18-9-12-4-6-16-15(8-12)19-10-20(16)2/h3-8,10,18H,9,17H2,1-2H3
InChIKeyWEJCWDROPMSNGL-UHFFFAOYSA-N
XLogP3.08
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115124487
N-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine
CID 115212382
N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110785872
2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 53014028
1,5-dimethylbenzimidazole;ethene
CID 145318091
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine
CID 116925164
1-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,3-diamine
CID 115199334
1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride
CID 91826509
1,3-diethylbenzene;1,5-dimethylbenzimidazole
CID 143832422

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-methyl-1-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine (CID 115125068) is 4-methyl-1-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-methyl-1-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-methyl-1-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine is Cc1ccc(NCc2ccc3c(c2)ncn3C)c(N)c1.
What is the InChIKey of 4-methyl-1-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine?
The InChIKey is WEJCWDROPMSNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-3-5-14(13(17)7-11)18-9-12-4-6-16-15(8-12)19-10-20(16)2/h3-8,10,18H,9,17H2,1-2H3.
What are the key properties of 4-methyl-1-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine?
4-methyl-1-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine has a molecular weight of 266.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 115125068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).