1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine

C16H17N3 — CID 866268

IUPAC1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine
SMILESCc1ccc(CNc2ccc3c(c2)ncn3C)cc1
InChIInChI=1S/C16H17N3/c1-12-3-5-13(6-4-12)10-17-14-7-8-16-15(9-14)18-11-19(16)2/h3-9,11,17H,10H2,1-2H3
InChIKeyDPLVOPYZUMUTDL-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.49
Rot. Bonds3

About 1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine

1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine (PubChem CID 866268) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine
PubChem CID866268
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine
SMILESCc1ccc(CNc2ccc3c(c2)ncn3C)cc1
InChIInChI=1S/C16H17N3/c1-12-3-5-13(6-4-12)10-17-14-7-8-16-15(9-14)18-11-19(16)2/h3-9,11,17H,10H2,1-2H3
InChIKeyDPLVOPYZUMUTDL-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_bim(9)', 'substructure': 'N/A'}

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Related Compounds

Lerisetron
CID 65997
2-Amino-3-methylimidazo(4,5-f)quinoline
CID 53462
2-Amino-3,4-dimethylimidazo(4,5-f)quinoline
CID 62274
Tecastemizole
CID 123618
1H-Benzimidazol-6-amine, 2-(4-aminophenyl)-
CID 24260
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
1-Benzyl-1H-benzimidazole
CID 563347
4-(1H-1,3-benzodiazol-1-yl)aniline
CID 5328453
3-(1H-1,3-benzodiazol-1-yl)propan-1-amine
CID 3920849
5,6-dimethyl-1-((4-methylphenyl)methyl)-1H-1,3-benzodiazole
CID 962387
N-benzyl-1H-1,3-benzodiazol-2-amine
CID 563446
1-Benzyl-2-phenylbenzimidazole
CID 1221687

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine?
The IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine (CID 866268) is 1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine?
The canonical SMILES for 1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine is Cc1ccc(CNc2ccc3c(c2)ncn3C)cc1.
What is the InChIKey of 1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine?
The InChIKey is DPLVOPYZUMUTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12-3-5-13(6-4-12)10-17-14-7-8-16-15(9-14)18-11-19(16)2/h3-9,11,17H,10H2,1-2H3.
What are the key properties of 1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine?
1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine has a molecular weight of 251.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 866268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).