4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide

C19H20ClN3O — CID 17009463

IUPAC4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
SMILESCCCn1c(C(C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H20ClN3O/c1-3-12-23-17-7-5-4-6-16(17)22-18(23)13(2)21-19(24)14-8-10-15(20)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,21,24)
InChIKeyOCKHXLPGSVJEIZ-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.59
Rot. Bonds5

About 4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide

4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide (PubChem CID 17009463) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
PubChem CID17009463
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
SMILESCCCn1c(C(C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H20ClN3O/c1-3-12-23-17-7-5-4-6-16(17)22-18(23)13(2)21-19(24)14-8-10-15(20)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,21,24)
InChIKeyOCKHXLPGSVJEIZ-UHFFFAOYSA-N
XLogP4.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
CID 751147
4-fluoro-N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
CID 751168
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721
4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009483
4-chloro-N-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009491
N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967368
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 17009493
4-chloro-N-[1-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009562
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
4-bromo-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
CID 17009314
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 17009628
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965375

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide (CID 17009463) is 4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide is CCCn1c(C(C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide?
The InChIKey is OCKHXLPGSVJEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-3-12-23-17-7-5-4-6-16(17)22-18(23)13(2)21-19(24)14-8-10-15(20)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,21,24).
What are the key properties of 4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide?
4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide has a molecular weight of 341.84 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 17009463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).