3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide

C17H16ClN3O — CID 4800861

IUPAC3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
SMILESCCCn1c(NC(=O)c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C17H16ClN3O/c1-2-10-21-15-9-4-3-8-14(15)19-17(21)20-16(22)12-6-5-7-13(18)11-12/h3-9,11H,2,10H2,1H3,(H,19,20,22)
InChIKeyTWDNVHARCGDFLV-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.35
Rot. Bonds4

About 3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide

3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide (PubChem CID 4800861) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
PubChem CID4800861
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
SMILESCCCn1c(NC(=O)c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C17H16ClN3O/c1-2-10-21-15-9-4-3-8-14(15)19-17(21)20-16(22)12-6-5-7-13(18)11-12/h3-9,11H,2,10H2,1H3,(H,19,20,22)
InChIKeyTWDNVHARCGDFLV-UHFFFAOYSA-N
XLogP4.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
4-chloro-3-(methylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide
CID 24628743
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 35535185
3-chloro-N-[(1-octadecylbenzimidazol-2-yl)methyl]benzamide
CID 17008230
3-N-[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]benzene-1,3-dicarboxamide
CID 164600980
1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide
CID 4879642
5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 31510194
methyl 3-[2-[(3-aminobenzoyl)amino]benzimidazol-1-yl]propanoate
CID 68792716
3-[[1-(6-bromohexyl)benzimidazol-2-yl]carbamoyl]benzoic acid
CID 172789945
2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 40589359
4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide
CID 7408843

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide?
The IUPAC name of 3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide (CID 4800861) is 3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide is CCCn1c(NC(=O)c2cccc(Cl)c2)nc2ccccc21.
What is the InChIKey of 3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide?
The InChIKey is TWDNVHARCGDFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-2-10-21-15-9-4-3-8-14(15)19-17(21)20-16(22)12-6-5-7-13(18)11-12/h3-9,11H,2,10H2,1H3,(H,19,20,22).
What are the key properties of 3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide?
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide has a molecular weight of 313.79 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide is sourced from PubChem (CID 4800861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).