4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide

C11H10ClN3O — CID 115694734

IUPAC4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ncc[nH]2)ccc1Cl
InChIInChI=1S/C11H10ClN3O/c1-7-6-8(2-3-9(7)12)10(16)15-11-13-4-5-14-11/h2-6H,1H3,(H2,13,14,15,16)
InChIKeySFONREPFYOSKMF-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.62
Rot. Bonds2

About 4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide

4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide (PubChem CID 115694734) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide
PubChem CID115694734
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ncc[nH]2)ccc1Cl
InChIInChI=1S/C11H10ClN3O/c1-7-6-8(2-3-9(7)12)10(16)15-11-13-4-5-14-11/h2-6H,1H3,(H2,13,14,15,16)
InChIKeySFONREPFYOSKMF-UHFFFAOYSA-N
XLogP2.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide
CID 82832514
N-(1H-imidazol-2-yl)-6-methylpyridine-3-carboxamide
CID 60968795
3,4-difluoro-N-(1H-imidazol-2-yl)benzamide
CID 63565198
N-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998937
5-[(4-chloro-3-methylbenzoyl)amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide
CID 118725678
N-(1H-imidazol-2-yl)-2-methylbenzamide
CID 60968635
2,4-dichloro-N-(1H-imidazol-2-yl)benzamide
CID 55027572
3,6-dichloro-N-(1H-imidazol-2-yl)pyridine-2-carboxamide
CID 60967376
N-(1H-imidazol-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 60966951
N-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 60968095
4-chloro-N-(4-fluorophenyl)-3-methylbenzamide
CID 122630273
N-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide
CID 60968772

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide?
The IUPAC name of 4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide (CID 115694734) is 4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide?
The canonical SMILES for 4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide is Cc1cc(C(=O)Nc2ncc[nH]2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide?
The InChIKey is SFONREPFYOSKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-7-6-8(2-3-9(7)12)10(16)15-11-13-4-5-14-11/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of 4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide?
4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide has a molecular weight of 235.67 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide is sourced from PubChem (CID 115694734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).