2-methyl-1-(pyrimidin-4-ylmethyl)benzimidazol-5-amine

C13H13N5 — CID 114112062

IUPAC2-methyl-1-(pyrimidin-4-ylmethyl)benzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1Cc1ccncn1
InChIInChI=1S/C13H13N5/c1-9-17-12-6-10(14)2-3-13(12)18(9)7-11-4-5-15-8-16-11/h2-6,8H,7,14H2,1H3
InChIKeyIHGFDXHSHOOPBF-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.77
Rot. Bonds2

About 2-methyl-1-(pyrimidin-4-ylmethyl)benzimidazol-5-amine

2-methyl-1-(pyrimidin-4-ylmethyl)benzimidazol-5-amine (PubChem CID 114112062) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-methyl-1-(pyrimidin-4-ylmethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-1-(pyrimidin-4-ylmethyl)benzimidazol-5-amine
PubChem CID114112062
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name2-methyl-1-(pyrimidin-4-ylmethyl)benzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1Cc1ccncn1
InChIInChI=1S/C13H13N5/c1-9-17-12-6-10(14)2-3-13(12)18(9)7-11-4-5-15-8-16-11/h2-6,8H,7,14H2,1H3
InChIKeyIHGFDXHSHOOPBF-UHFFFAOYSA-N
XLogP1.77
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine
CID 62992193
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
2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine
CID 114101961
1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine
CID 62533806
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-amine
CID 106039427
2-methylbenzimidazole-1,5-diamine
CID 83418174
4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline
CID 94756819
2-tert-butyl-1-(pyridin-2-ylmethyl)benzimidazol-5-amine
CID 62507178
4-(5-amino-2-methylbenzimidazol-1-yl)-1-methoxybutan-2-ol
CID 106248081
3-[(5-amino-2-methylbenzimidazol-1-yl)methyl]benzonitrile
CID 62506230
6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol
CID 107849624

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(pyrimidin-4-ylmethyl)benzimidazol-5-amine?
The IUPAC name of 2-methyl-1-(pyrimidin-4-ylmethyl)benzimidazol-5-amine (CID 114112062) is 2-methyl-1-(pyrimidin-4-ylmethyl)benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-1-(pyrimidin-4-ylmethyl)benzimidazol-5-amine?
The canonical SMILES for 2-methyl-1-(pyrimidin-4-ylmethyl)benzimidazol-5-amine is Cc1nc2cc(N)ccc2n1Cc1ccncn1.
What is the InChIKey of 2-methyl-1-(pyrimidin-4-ylmethyl)benzimidazol-5-amine?
The InChIKey is IHGFDXHSHOOPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-9-17-12-6-10(14)2-3-13(12)18(9)7-11-4-5-15-8-16-11/h2-6,8H,7,14H2,1H3.
What are the key properties of 2-methyl-1-(pyrimidin-4-ylmethyl)benzimidazol-5-amine?
2-methyl-1-(pyrimidin-4-ylmethyl)benzimidazol-5-amine has a molecular weight of 239.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(pyrimidin-4-ylmethyl)benzimidazol-5-amine is sourced from PubChem (CID 114112062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).