4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine

C11H9ClN4O — CID 106419843

IUPAC4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2c(Cl)cccc2n1Cc1ccno1
InChIInChI=1S/C11H9ClN4O/c12-8-2-1-3-9-10(8)15-11(13)16(9)6-7-4-5-14-17-7/h1-5H,6H2,(H2,13,15)
InChIKeyCGFDQQHVWQICEY-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.31
Rot. Bonds2

About 4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine

4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine (PubChem CID 106419843) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
PubChem CID106419843
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2c(Cl)cccc2n1Cc1ccno1
InChIInChI=1S/C11H9ClN4O/c12-8-2-1-3-9-10(8)15-11(13)16(9)6-7-4-5-14-17-7/h1-5H,6H2,(H2,13,15)
InChIKeyCGFDQQHVWQICEY-UHFFFAOYSA-N
XLogP2.31
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine (CID 106419843) is 4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine is Nc1nc2c(Cl)cccc2n1Cc1ccno1.
What is the InChIKey of 4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine?
The InChIKey is CGFDQQHVWQICEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-8-2-1-3-9-10(8)15-11(13)16(9)6-7-4-5-14-17-7/h1-5H,6H2,(H2,13,15).
What are the key properties of 4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine?
4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine has a molecular weight of 248.67 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 106419843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).