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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Related Compounds

4-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 106419832
5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 114186520
4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine
CID 104836904
4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
CID 106900318
4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 104837059
4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine
CID 104837124
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008445
2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide
CID 104836765
4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine
CID 106294645
1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine
CID 60789953
4-chloro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-amine
CID 104836999
5-[(4-chloroindol-1-yl)methyl]-1,2-oxazole
CID 116623604

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).