6-chloro-N-(1,2-oxazol-3-yl)-1H-benzimidazole-2-carboxamide

C11H7ClN4O2 — CID 56859530

IUPAC6-chloro-N-(1,2-oxazol-3-yl)-1H-benzimidazole-2-carboxamide
SMILESO=C(Nc1ccon1)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H7ClN4O2/c12-6-1-2-7-8(5-6)14-10(13-7)11(17)15-9-3-4-18-16-9/h1-5H,(H,13,14)(H,15,16,17)
InChIKeyYIMQPDVXGUYWMJ-UHFFFAOYSA-N
MW262.66 g/mol
LogP2.46
Rot. Bonds2

About 6-chloro-N-(1,2-oxazol-3-yl)-1H-benzimidazole-2-carboxamide

6-chloro-N-(1,2-oxazol-3-yl)-1H-benzimidazole-2-carboxamide (PubChem CID 56859530) has the molecular formula C11H7ClN4O2 and a molecular weight of 262.66 g/mol. Its IUPAC name is 6-chloro-N-(1,2-oxazol-3-yl)-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1,2-oxazol-3-yl)-1H-benzimidazole-2-carboxamide
PubChem CID56859530
Molecular FormulaC11H7ClN4O2
Molecular Weight262.66 g/mol
Exact Mass262.03
IUPAC Name6-chloro-N-(1,2-oxazol-3-yl)-1H-benzimidazole-2-carboxamide
SMILESO=C(Nc1ccon1)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H7ClN4O2/c12-6-1-2-7-8(5-6)14-10(13-7)11(17)15-9-3-4-18-16-9/h1-5H,(H,13,14)(H,15,16,17)
InChIKeyYIMQPDVXGUYWMJ-UHFFFAOYSA-N
XLogP2.46
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 45497358
3,5-dichloro-N-(1,2-oxazol-3-yl)benzamide
CID 17249127
1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one
CID 158634585
6-chloro-N-(4-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide
CID 68706033
5-chloro-N-(1,2-oxazol-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80618798
1-[(4-chlorophenyl)methyl]-3-(1,2-oxazol-3-yl)urea
CID 108811814
N-(1,2-oxazol-3-yl)-1H-indole-6-carboxamide
CID 63768269
2-[3-chloro-4-[4-[(6-chloro-1H-benzimidazole-2-carbonyl)amino]phenoxy]phenyl]acetic acid
CID 143840471
1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 6465329
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 16595484
[(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 29214805
6-amino-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 62904493

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,2-oxazol-3-yl)-1H-benzimidazole-2-carboxamide?
The IUPAC name of 6-chloro-N-(1,2-oxazol-3-yl)-1H-benzimidazole-2-carboxamide (CID 56859530) is 6-chloro-N-(1,2-oxazol-3-yl)-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1,2-oxazol-3-yl)-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1,2-oxazol-3-yl)-1H-benzimidazole-2-carboxamide is O=C(Nc1ccon1)c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-N-(1,2-oxazol-3-yl)-1H-benzimidazole-2-carboxamide?
The InChIKey is YIMQPDVXGUYWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O2/c12-6-1-2-7-8(5-6)14-10(13-7)11(17)15-9-3-4-18-16-9/h1-5H,(H,13,14)(H,15,16,17).
What are the key properties of 6-chloro-N-(1,2-oxazol-3-yl)-1H-benzimidazole-2-carboxamide?
6-chloro-N-(1,2-oxazol-3-yl)-1H-benzimidazole-2-carboxamide has a molecular weight of 262.66 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,2-oxazol-3-yl)-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 56859530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).