4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,3-oxazole

C16H12N4O — CID 177372680

IUPAC4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,3-oxazole
SMILESc1ccc2c(c1)nc(-c1cocn1)n2Cc1ccncc1
InChIInChI=1S/C16H12N4O/c1-2-4-15-13(3-1)19-16(14-10-21-11-18-14)20(15)9-12-5-7-17-8-6-12/h1-8,10-11H,9H2
InChIKeyMFPRVOIABBMJHP-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.13
Rot. Bonds3

About 4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,3-oxazole

4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,3-oxazole (PubChem CID 177372680) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,3-oxazole
PubChem CID177372680
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,3-oxazole
SMILESc1ccc2c(c1)nc(-c1cocn1)n2Cc1ccncc1
InChIInChI=1S/C16H12N4O/c1-2-4-15-13(3-1)19-16(14-10-21-11-18-14)20(15)9-12-5-7-17-8-6-12/h1-8,10-11H,9H2
InChIKeyMFPRVOIABBMJHP-UHFFFAOYSA-N
XLogP3.13
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,3-oxazole?
The IUPAC name of 4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,3-oxazole (CID 177372680) is 4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,3-oxazole.
What is the SMILES notation for 4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,3-oxazole?
The canonical SMILES for 4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,3-oxazole is c1ccc2c(c1)nc(-c1cocn1)n2Cc1ccncc1.
What is the InChIKey of 4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,3-oxazole?
The InChIKey is MFPRVOIABBMJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-2-4-15-13(3-1)19-16(14-10-21-11-18-14)20(15)9-12-5-7-17-8-6-12/h1-8,10-11H,9H2.
What are the key properties of 4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,3-oxazole?
4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,3-oxazole has a molecular weight of 276.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 177372680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).