N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)acetamide

C17H19ClN4O — CID 110204340

IUPACN-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)acetamide
SMILESCc1ccc(C)n1CC(=O)NCCn1cnc2cc(Cl)ccc21
InChIInChI=1S/C17H19ClN4O/c1-12-3-4-13(2)22(12)10-17(23)19-7-8-21-11-20-15-9-14(18)5-6-16(15)21/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,23)
InChIKeyRZVRTVLJKJRRDT-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.92
Rot. Bonds5

About N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)acetamide

N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)acetamide (PubChem CID 110204340) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)acetamide
PubChem CID110204340
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC NameN-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)acetamide
SMILESCc1ccc(C)n1CC(=O)NCCn1cnc2cc(Cl)ccc21
InChIInChI=1S/C17H19ClN4O/c1-12-3-4-13(2)22(12)10-17(23)19-7-8-21-11-20-15-9-14(18)5-6-16(15)21/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,23)
InChIKeyRZVRTVLJKJRRDT-UHFFFAOYSA-N
XLogP2.92
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-hydroxy-3-pyridin-2-ylpropanamide
CID 167992276
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
N-[3-(benzimidazol-1-yl)propyl]-2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 24553375
2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide
CID 43659596
2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121120794
2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide
CID 43567559
2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 137320602
1-(4-chlorophenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 20974867
5-chloro-1-(3-methoxypropyl)benzimidazole
CID 46308557
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
N-(3-chloro-2-methylphenyl)-1-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxamide
CID 50849196
N-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 22108871

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)acetamide?
The IUPAC name of N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)acetamide (CID 110204340) is N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)acetamide.
What is the SMILES notation for N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)acetamide?
The canonical SMILES for N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)acetamide is Cc1ccc(C)n1CC(=O)NCCn1cnc2cc(Cl)ccc21.
What is the InChIKey of N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)acetamide?
The InChIKey is RZVRTVLJKJRRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-12-3-4-13(2)22(12)10-17(23)19-7-8-21-11-20-15-9-14(18)5-6-16(15)21/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)acetamide?
N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)acetamide has a molecular weight of 330.82 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)acetamide is sourced from PubChem (CID 110204340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).