5-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]pentanamide

C15H17ClN4O — CID 106240486

IUPAC5-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]pentanamide
SMILESN#Cc1ccc2nc(CCCl)n(CCCCC(N)=O)c2c1
InChIInChI=1S/C15H17ClN4O/c16-7-6-15-19-12-5-4-11(10-17)9-13(12)20(15)8-2-1-3-14(18)21/h4-5,9H,1-3,6-8H2,(H2,18,21)
InChIKeyLSUUFEHGZDEPCW-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.34
Rot. Bonds7

About 5-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]pentanamide

5-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]pentanamide (PubChem CID 106240486) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]pentanamide.

Molecular Properties

Compound Name5-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]pentanamide
PubChem CID106240486
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name5-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]pentanamide
SMILESN#Cc1ccc2nc(CCCl)n(CCCCC(N)=O)c2c1
InChIInChI=1S/C15H17ClN4O/c16-7-6-15-19-12-5-4-11(10-17)9-13(12)20(15)8-2-1-3-14(18)21/h4-5,9H,1-3,6-8H2,(H2,18,21)
InChIKeyLSUUFEHGZDEPCW-UHFFFAOYSA-N
XLogP2.34
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-3-pentylbenzimidazole-5-carbonitrile
CID 104715235
2-(2-chloroethyl)-3-ethylbenzimidazole-5-carbonitrile
CID 104715267
2-(2-chloroethyl)-3-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-5-carbonitrile
CID 104715732
N-[2-[2-(chloromethyl)-6-cyanobenzimidazol-1-yl]ethyl]acetamide
CID 104715458
2-(2-chloroethyl)-3-(2-ethoxy-2-methylpropyl)benzimidazole-5-carbonitrile
CID 114943412
5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide
CID 106240434
2-(2-chloroethyl)-3-(thiolan-2-ylmethyl)benzimidazole-5-carbonitrile
CID 104715900
2-(2-chloroethyl)-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzimidazole-5-carbonitrile
CID 106382656
3-[2-(chloromethyl)-6-cyanobenzimidazol-1-yl]-3-methylbutanamide
CID 106097662
2-(2-chloroethyl)-3-[(3-methylthiophen-2-yl)methyl]benzimidazole-5-carbonitrile
CID 104715890
5-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]pentanamide
CID 106240467
2-[2-[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]ethoxy]acetamide
CID 106240518

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]pentanamide?
The IUPAC name of 5-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]pentanamide (CID 106240486) is 5-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]pentanamide.
What is the SMILES notation for 5-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]pentanamide?
The canonical SMILES for 5-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]pentanamide is N#Cc1ccc2nc(CCCl)n(CCCCC(N)=O)c2c1.
What is the InChIKey of 5-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]pentanamide?
The InChIKey is LSUUFEHGZDEPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-7-6-15-19-12-5-4-11(10-17)9-13(12)20(15)8-2-1-3-14(18)21/h4-5,9H,1-3,6-8H2,(H2,18,21).
What are the key properties of 5-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]pentanamide?
5-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]pentanamide has a molecular weight of 304.78 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]pentanamide is sourced from PubChem (CID 106240486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).