5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide

C14H17Cl2N3O — CID 106240379

IUPAC5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1CCCCC(N)=O
InChIInChI=1S/C14H17Cl2N3O/c1-9(15)14-18-11-8-10(16)5-6-12(11)19(14)7-3-2-4-13(17)20/h5-6,8-9H,2-4,7H2,1H3,(H2,17,20)
InChIKeyCXXWYKSKCJJLOY-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.65
Rot. Bonds6

About 5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide

5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide (PubChem CID 106240379) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is 5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide.

Molecular Properties

Compound Name5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
PubChem CID106240379
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1CCCCC(N)=O
InChIInChI=1S/C14H17Cl2N3O/c1-9(15)14-18-11-8-10(16)5-6-12(11)19(14)7-3-2-4-13(17)20/h5-6,8-9H,2-4,7H2,1H3,(H2,17,20)
InChIKeyCXXWYKSKCJJLOY-UHFFFAOYSA-N
XLogP3.65
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.65
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

4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60862901
4-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]butanamide
CID 60863978
4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide
CID 60863436
4-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60863620
N-[3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propyl]methanesulfonamide
CID 106339215
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
5-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240470
4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide
CID 55091707
3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol
CID 46308438
4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60863795
5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole
CID 106037753
2-[1-(4-amino-4-oxobutyl)-5-chlorobenzimidazol-2-yl]sulfanylacetic acid
CID 60863617

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide?
The IUPAC name of 5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide (CID 106240379) is 5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide.
What is the SMILES notation for 5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide?
The canonical SMILES for 5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide is CC(Cl)c1nc2cc(Cl)ccc2n1CCCCC(N)=O.
What is the InChIKey of 5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide?
The InChIKey is CXXWYKSKCJJLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O/c1-9(15)14-18-11-8-10(16)5-6-12(11)19(14)7-3-2-4-13(17)20/h5-6,8-9H,2-4,7H2,1H3,(H2,17,20).
What are the key properties of 5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide?
5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide has a molecular weight of 314.22 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide is sourced from PubChem (CID 106240379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).