[3-methyl-2-(6-methyl-2-pyridinyl)benzimidazol-5-yl]methanamine

C15H16N4 — CID 104712925

IUPAC[3-methyl-2-(6-methyl-2-pyridinyl)benzimidazol-5-yl]methanamine
SMILESCc1cccc(-c2nc3ccc(CN)cc3n2C)n1
InChIInChI=1S/C15H16N4/c1-10-4-3-5-13(17-10)15-18-12-7-6-11(9-16)8-14(12)19(15)2/h3-8H,9,16H2,1-2H3
InChIKeyCDNUIFYWMQEKHR-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.40
Rot. Bonds2

About [3-methyl-2-(6-methyl-2-pyridinyl)benzimidazol-5-yl]methanamine

[3-methyl-2-(6-methyl-2-pyridinyl)benzimidazol-5-yl]methanamine (PubChem CID 104712925) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is [3-methyl-2-(6-methyl-2-pyridinyl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-2-(6-methyl-2-pyridinyl)benzimidazol-5-yl]methanamine
PubChem CID104712925
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name[3-methyl-2-(6-methyl-2-pyridinyl)benzimidazol-5-yl]methanamine
SMILESCc1cccc(-c2nc3ccc(CN)cc3n2C)n1
InChIInChI=1S/C15H16N4/c1-10-4-3-5-13(17-10)15-18-12-7-6-11(9-16)8-14(12)19(15)2/h3-8H,9,16H2,1-2H3
InChIKeyCDNUIFYWMQEKHR-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 104713110
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole
CID 71344812
[3-methyl-2-(2-methyl-4-pyridinyl)benzimidazol-5-yl]methanamine
CID 106754392
[3-methyl-2-(4-methylthiophen-3-yl)benzimidazol-5-yl]methanamine
CID 113444368
6-(aminomethyl)-1-methylbenzimidazol-2-amine
CID 84767207
[2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 104713201
[2-(3-chloro-5-methylphenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 104713172
[2-(2,5-dibromophenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 114375973
[3-methyl-2-(1H-pyrazol-4-yl)benzimidazol-5-yl]methanamine
CID 113444392
(3-methyl-2-pyrazolo[1,5-a]pyridin-3-ylbenzimidazol-5-yl)methanamine
CID 103123342
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole-5-carbonitrile
CID 65035421
[6-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104713063

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(6-methyl-2-pyridinyl)benzimidazol-5-yl]methanamine?
The IUPAC name of [3-methyl-2-(6-methyl-2-pyridinyl)benzimidazol-5-yl]methanamine (CID 104712925) is [3-methyl-2-(6-methyl-2-pyridinyl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [3-methyl-2-(6-methyl-2-pyridinyl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [3-methyl-2-(6-methyl-2-pyridinyl)benzimidazol-5-yl]methanamine is Cc1cccc(-c2nc3ccc(CN)cc3n2C)n1.
What is the InChIKey of [3-methyl-2-(6-methyl-2-pyridinyl)benzimidazol-5-yl]methanamine?
The InChIKey is CDNUIFYWMQEKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10-4-3-5-13(17-10)15-18-12-7-6-11(9-16)8-14(12)19(15)2/h3-8H,9,16H2,1-2H3.
What are the key properties of [3-methyl-2-(6-methyl-2-pyridinyl)benzimidazol-5-yl]methanamine?
[3-methyl-2-(6-methyl-2-pyridinyl)benzimidazol-5-yl]methanamine has a molecular weight of 252.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(6-methyl-2-pyridinyl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 104712925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).