1-(pyridin-4-ylmethyl)benzimidazol-2-amine

C13H12N4 — CID 43148815

IUPAC1-(pyridin-4-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2ccccc2n1Cc1ccncc1
InChIInChI=1S/C13H12N4/c14-13-16-11-3-1-2-4-12(11)17(13)9-10-5-7-15-8-6-10/h1-8H,9H2,(H2,14,16)
InChIKeyUZEOECXMHBWYKM-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.06
Rot. Bonds2

About 1-(pyridin-4-ylmethyl)benzimidazol-2-amine

1-(pyridin-4-ylmethyl)benzimidazol-2-amine (PubChem CID 43148815) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)benzimidazol-2-amine
PubChem CID43148815
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name1-(pyridin-4-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2ccccc2n1Cc1ccncc1
InChIInChI=1S/C13H12N4/c14-13-16-11-3-1-2-4-12(11)17(13)9-10-5-7-15-8-6-10/h1-8H,9H2,(H2,14,16)
InChIKeyUZEOECXMHBWYKM-UHFFFAOYSA-N
XLogP2.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 886688
3-[(2-aminobenzimidazol-1-yl)methyl]benzoic acid
CID 82358949
(E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol
CID 3113691
1-(methoxymethyl)benzimidazol-2-amine
CID 12808407
1-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-2-amine
CID 79296071
3-benzylimidazo[4,5-b]pyridin-2-amine
CID 79289249
4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzenecarbothioamide
CID 39151457
1-benzyl-2-chlorobenzimidazole
CID 3821987
4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzonitrile
CID 39151464
5-iodo-1-(2-pyridin-4-ylethyl)benzimidazol-2-amine
CID 66080794
1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763114
2-iodo-1-(pyridin-4-ylmethyl)indole
CID 145189554

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 1-(pyridin-4-ylmethyl)benzimidazol-2-amine (CID 43148815) is 1-(pyridin-4-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 1-(pyridin-4-ylmethyl)benzimidazol-2-amine is Nc1nc2ccccc2n1Cc1ccncc1.
What is the InChIKey of 1-(pyridin-4-ylmethyl)benzimidazol-2-amine?
The InChIKey is UZEOECXMHBWYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-13-16-11-3-1-2-4-12(11)17(13)9-10-5-7-15-8-6-10/h1-8H,9H2,(H2,14,16).
What are the key properties of 1-(pyridin-4-ylmethyl)benzimidazol-2-amine?
1-(pyridin-4-ylmethyl)benzimidazol-2-amine has a molecular weight of 224.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 43148815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).