5-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]pentanamide

C15H20ClN3O — CID 106240467

IUPAC5-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]pentanamide
SMILESCc1cccc2c1nc(CCCl)n2CCCCC(N)=O
InChIInChI=1S/C15H20ClN3O/c1-11-5-4-6-12-15(11)18-14(8-9-16)19(12)10-3-2-7-13(17)20/h4-6H,2-3,7-10H2,1H3,(H2,17,20)
InChIKeyQXGNQCDHIZWXBD-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.78
Rot. Bonds7

About 5-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]pentanamide

5-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]pentanamide (PubChem CID 106240467) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]pentanamide.

Molecular Properties

Compound Name5-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]pentanamide
PubChem CID106240467
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name5-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]pentanamide
SMILESCc1cccc2c1nc(CCCl)n2CCCCC(N)=O
InChIInChI=1S/C15H20ClN3O/c1-11-5-4-6-12-15(11)18-14(8-9-16)19(12)10-3-2-7-13(17)20/h4-6H,2-3,7-10H2,1H3,(H2,17,20)
InChIKeyQXGNQCDHIZWXBD-UHFFFAOYSA-N
XLogP2.78
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]ethoxy]acetamide
CID 106240669
2-(2-chloroethyl)-4-methyl-1-(3-methylsulfinylpropyl)benzimidazole
CID 114041859
3-[4-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide
CID 104837684
3-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]butanamide
CID 114041868
2-(2-chloroethyl)-4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole
CID 106432078
2-[2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]ethoxy]acetamide
CID 106240573
2-(2-chloroethyl)-4-fluoro-1-(5-methylhexyl)benzimidazole
CID 115326562
5-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]pentanamide
CID 106240486
4-[[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]methyl]-3H-1,3-thiazol-2-one
CID 106382638
N-[2-[2-(2-chloroethyl)-4-fluorobenzimidazol-1-yl]ethyl]acetamide
CID 60788652
2-(2-chloroethyl)-4-fluoro-1-(4-propan-2-yloxybutyl)benzimidazole
CID 106005173
3-(4-amino-2-butylbenzimidazol-1-yl)propanoic acid
CID 82067392

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]pentanamide?
The IUPAC name of 5-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]pentanamide (CID 106240467) is 5-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]pentanamide.
What is the SMILES notation for 5-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]pentanamide?
The canonical SMILES for 5-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]pentanamide is Cc1cccc2c1nc(CCCl)n2CCCCC(N)=O.
What is the InChIKey of 5-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]pentanamide?
The InChIKey is QXGNQCDHIZWXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-11-5-4-6-12-15(11)18-14(8-9-16)19(12)10-3-2-7-13(17)20/h4-6H,2-3,7-10H2,1H3,(H2,17,20).
What are the key properties of 5-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]pentanamide?
5-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]pentanamide has a molecular weight of 293.80 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]pentanamide is sourced from PubChem (CID 106240467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).