2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine

C15H16N4 — CID 62992193

IUPAC2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine
SMILESCc1ccc(Cn2c(C)nc3cc(N)ccc32)cn1
InChIInChI=1S/C15H16N4/c1-10-3-4-12(8-17-10)9-19-11(2)18-14-7-13(16)5-6-15(14)19/h3-8H,9,16H2,1-2H3
InChIKeyUIPAAQKWQZANFN-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.68
Rot. Bonds2

About 2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine

2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine (PubChem CID 62992193) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine
PubChem CID62992193
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine
SMILESCc1ccc(Cn2c(C)nc3cc(N)ccc32)cn1
InChIInChI=1S/C15H16N4/c1-10-3-4-12(8-17-10)9-19-11(2)18-14-7-13(16)5-6-15(14)19/h3-8H,9,16H2,1-2H3
InChIKeyUIPAAQKWQZANFN-UHFFFAOYSA-N
XLogP2.68
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline
CID 94756819
1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine
CID 62533806
2-methyl-1-(pyrimidin-4-ylmethyl)benzimidazol-5-amine
CID 114112062
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-amine
CID 106039427
3-[(5-amino-2-methylbenzimidazol-1-yl)methyl]benzonitrile
CID 62506230
1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine
CID 64694790
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine
CID 106376371
5-[(2,5-dimethylpyrrol-1-yl)methyl]-2-methylpyridine
CID 62993324
2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine
CID 114101961
5-bromo-2-(2-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]benzimidazole
CID 62990728
6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine
CID 65344818
4-[(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)methyl]aniline
CID 82150112

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine?
The IUPAC name of 2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine (CID 62992193) is 2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine?
The canonical SMILES for 2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine is Cc1ccc(Cn2c(C)nc3cc(N)ccc32)cn1.
What is the InChIKey of 2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine?
The InChIKey is UIPAAQKWQZANFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10-3-4-12(8-17-10)9-19-11(2)18-14-7-13(16)5-6-15(14)19/h3-8H,9,16H2,1-2H3.
What are the key properties of 2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine?
2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine has a molecular weight of 252.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 62992193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).