2-(1H-imidazol-2-yl)-1-(pyridin-4-ylmethyl)benzimidazole

C16H13N5 — CID 177372678

IUPAC2-(1H-imidazol-2-yl)-1-(pyridin-4-ylmethyl)benzimidazole
SMILESc1ccc2c(c1)nc(-c1ncc[nH]1)n2Cc1ccncc1
InChIInChI=1S/C16H13N5/c1-2-4-14-13(3-1)20-16(15-18-9-10-19-15)21(14)11-12-5-7-17-8-6-12/h1-10H,11H2,(H,18,19)
InChIKeyUIODVXJWCLAZQE-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.87
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-1-(pyridin-4-ylmethyl)benzimidazole

2-(1H-imidazol-2-yl)-1-(pyridin-4-ylmethyl)benzimidazole (PubChem CID 177372678) has the molecular formula C16H13N5 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-(pyridin-4-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-(pyridin-4-ylmethyl)benzimidazole
PubChem CID177372678
Molecular FormulaC16H13N5
Molecular Weight275.32 g/mol
Exact Mass275.12
IUPAC Name2-(1H-imidazol-2-yl)-1-(pyridin-4-ylmethyl)benzimidazole
SMILESc1ccc2c(c1)nc(-c1ncc[nH]1)n2Cc1ccncc1
InChIInChI=1S/C16H13N5/c1-2-4-14-13(3-1)20-16(15-18-9-10-19-15)21(14)11-12-5-7-17-8-6-12/h1-10H,11H2,(H,18,19)
InChIKeyUIODVXJWCLAZQE-UHFFFAOYSA-N
XLogP2.87
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-(pyridin-4-ylmethyl)benzimidazole?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-(pyridin-4-ylmethyl)benzimidazole (CID 177372678) is 2-(1H-imidazol-2-yl)-1-(pyridin-4-ylmethyl)benzimidazole.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-(pyridin-4-ylmethyl)benzimidazole?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-(pyridin-4-ylmethyl)benzimidazole is c1ccc2c(c1)nc(-c1ncc[nH]1)n2Cc1ccncc1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-(pyridin-4-ylmethyl)benzimidazole?
The InChIKey is UIODVXJWCLAZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-2-4-14-13(3-1)20-16(15-18-9-10-19-15)21(14)11-12-5-7-17-8-6-12/h1-10H,11H2,(H,18,19).
What are the key properties of 2-(1H-imidazol-2-yl)-1-(pyridin-4-ylmethyl)benzimidazole?
2-(1H-imidazol-2-yl)-1-(pyridin-4-ylmethyl)benzimidazole has a molecular weight of 275.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-(pyridin-4-ylmethyl)benzimidazole is sourced from PubChem (CID 177372678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).