3-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one

C14H9N3O2 — CID 10198876

IUPAC3-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1-c1nc2ccccc2o1
InChIInChI=1S/C14H9N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)
InChIKeyJBDRNSFDKSBSFE-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.46
Rot. Bonds1

About 3-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one

3-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one (PubChem CID 10198876) has the molecular formula C14H9N3O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
PubChem CID10198876
Molecular FormulaC14H9N3O2
Molecular Weight251.25 g/mol
Exact Mass251.07
IUPAC Name3-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1-c1nc2ccccc2o1
InChIInChI=1S/C14H9N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18)
InChIKeyJBDRNSFDKSBSFE-UHFFFAOYSA-N
XLogP2.46
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-Benzoxazol-2-yl)guanidine
CID 222552
2-Aminobenzoxazole
CID 20707
2-(Piperazin-1-yl)-1,3-benzoxazole
CID 647818
2-(1,3-Benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one
CID 664331
N-phenyl-1,3-benzoxazol-2-amine
CID 243391
N-(2-chlorophenyl)-1,3-benzoxazol-2-amine
CID 714839
N-Acetyl-N'-(5-methyl-benzooxazol-2-yl)-guanidine
CID 5762132
Benzoxazole, 2-amino-5-fluoro-
CID 15516
N-methyl-1,3-benzoxazol-2-amine
CID 590605
N-(4-Ethylphenyl)-5-methylbenzo[d]oxazol-2-amine
CID 24759786
N-(4-ethylphenyl)-1,3-benzoxazol-2-amine
CID 39918957
N-(4,6-Dimethyl-2-pyrimidinyl)-2-benzoxazolamine
CID 854816

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one (CID 10198876) is 3-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1-c1nc2ccccc2o1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one?
The InChIKey is JBDRNSFDKSBSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,18).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one?
3-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one has a molecular weight of 251.25 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 10198876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).