1-methyl-2-N-[(4-methylphenyl)methyl]benzimidazole-2,5-diamine

C16H18N4 — CID 59674118

IUPAC1-methyl-2-N-[(4-methylphenyl)methyl]benzimidazole-2,5-diamine
SMILESCc1ccc(CNc2nc3cc(N)ccc3n2C)cc1
InChIInChI=1S/C16H18N4/c1-11-3-5-12(6-4-11)10-18-16-19-14-9-13(17)7-8-15(14)20(16)2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyQBDCDPWRKYOVEG-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.08
Rot. Bonds3

About 1-methyl-2-N-[(4-methylphenyl)methyl]benzimidazole-2,5-diamine

1-methyl-2-N-[(4-methylphenyl)methyl]benzimidazole-2,5-diamine (PubChem CID 59674118) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-methyl-2-N-[(4-methylphenyl)methyl]benzimidazole-2,5-diamine.

Molecular Properties

Compound Name1-methyl-2-N-[(4-methylphenyl)methyl]benzimidazole-2,5-diamine
PubChem CID59674118
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-methyl-2-N-[(4-methylphenyl)methyl]benzimidazole-2,5-diamine
SMILESCc1ccc(CNc2nc3cc(N)ccc3n2C)cc1
InChIInChI=1S/C16H18N4/c1-11-3-5-12(6-4-11)10-18-16-19-14-9-13(17)7-8-15(14)20(16)2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyQBDCDPWRKYOVEG-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

1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine
CID 73442424
1-[4-[1-methyl-2-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 160770747
4-[[(5-methoxy-1-methylbenzimidazol-2-yl)amino]methyl]benzamide
CID 142463367
2-N-[[4-[(5-chloro-2-pyridinyl)oxymethyl]phenyl]methyl]-3-methylbenzimidazole-2,5-diamine
CID 129223487
2-N-[[4-[5-(4-chlorophenyl)pyrimidin-2-yl]oxyphenyl]methyl]-3-methylbenzimidazole-2,5-diamine
CID 118859201
3-methyl-2-N-[[4-(8-methylquinolin-2-yl)oxyphenyl]methyl]benzimidazole-2,5-diamine
CID 163533152
4-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide
CID 142463361
4-[2,2-dimethyl-3-(4-methylphenyl)propyl]aniline
CID 170390648
5-N,1-dimethyl-2-N-[(4-methylphenyl)methyl]-5-N-[2-[3-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]benzimidazole-2,5-diamine;hydrochloride
CID 10196710
3-methyl-2-N-[[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methyl]benzimidazole-2,5-diamine
CID 118858431
2-(4-bromophenyl)-1-methylbenzimidazol-5-amine
CID 83969010
2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-N-[(4-methylphenyl)methyl]benzimidazole-2,5-diamine?
The IUPAC name of 1-methyl-2-N-[(4-methylphenyl)methyl]benzimidazole-2,5-diamine (CID 59674118) is 1-methyl-2-N-[(4-methylphenyl)methyl]benzimidazole-2,5-diamine.
What is the SMILES notation for 1-methyl-2-N-[(4-methylphenyl)methyl]benzimidazole-2,5-diamine?
The canonical SMILES for 1-methyl-2-N-[(4-methylphenyl)methyl]benzimidazole-2,5-diamine is Cc1ccc(CNc2nc3cc(N)ccc3n2C)cc1.
What is the InChIKey of 1-methyl-2-N-[(4-methylphenyl)methyl]benzimidazole-2,5-diamine?
The InChIKey is QBDCDPWRKYOVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-3-5-12(6-4-11)10-18-16-19-14-9-13(17)7-8-15(14)20(16)2/h3-9H,10,17H2,1-2H3,(H,18,19).
What are the key properties of 1-methyl-2-N-[(4-methylphenyl)methyl]benzimidazole-2,5-diamine?
1-methyl-2-N-[(4-methylphenyl)methyl]benzimidazole-2,5-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 1-methyl-2-N-[(4-methylphenyl)methyl]benzimidazole-2,5-diamine is sourced from PubChem (CID 59674118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).