4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide

C15H12ClN3O2 — CID 110721732

IUPAC4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
SMILESCn1c(=O)[nH]c2cc(NC(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C15H12ClN3O2/c1-19-13-7-6-11(8-12(13)18-15(19)21)17-14(20)9-2-4-10(16)5-3-9/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKeyFISLLOZNPWRDFM-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.77
Rot. Bonds2

About 4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide

4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide (PubChem CID 110721732) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
PubChem CID110721732
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
SMILESCn1c(=O)[nH]c2cc(NC(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C15H12ClN3O2/c1-19-13-7-6-11(8-12(13)18-15(19)21)17-14(20)9-2-4-10(16)5-3-9/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKeyFISLLOZNPWRDFM-UHFFFAOYSA-N
XLogP2.77
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 110721736
3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
CID 110721708
3-acetamido-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
CID 110743522
2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide
CID 110721724
4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721833
N-[3-(1,3-dithiolan-2-yl)phenyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 71885645
N-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 86844636
N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067173
3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide
CID 110721787
N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide
CID 110721777
N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 936828
6-(2-bromoacetyl)-3-methyl-1H-benzimidazol-2-one
CID 139311717

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide?
The IUPAC name of 4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide (CID 110721732) is 4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide is Cn1c(=O)[nH]c2cc(NC(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide?
The InChIKey is FISLLOZNPWRDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-19-13-7-6-11(8-12(13)18-15(19)21)17-14(20)9-2-4-10(16)5-3-9/h2-8H,1H3,(H,17,20)(H,18,21).
What are the key properties of 4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide?
4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide has a molecular weight of 301.73 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide is sourced from PubChem (CID 110721732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).