4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide

C13H15Cl2N3O — CID 60863795

IUPAC4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
SMILESCC(Cl)c1nc2cccc(Cl)c2n1CCCC(N)=O
InChIInChI=1S/C13H15Cl2N3O/c1-8(14)13-17-10-5-2-4-9(15)12(10)18(13)7-3-6-11(16)19/h2,4-5,8H,3,6-7H2,1H3,(H2,16,19)
InChIKeyBMOZQACCFFGBNV-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.26
Rot. Bonds5

About 4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide

4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide (PubChem CID 60863795) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide.

Molecular Properties

Compound Name4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
PubChem CID60863795
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
SMILESCC(Cl)c1nc2cccc(Cl)c2n1CCCC(N)=O
InChIInChI=1S/C13H15Cl2N3O/c1-8(14)13-17-10-5-2-4-9(15)12(10)18(13)7-3-6-11(16)19/h2,4-5,8H,3,6-7H2,1H3,(H2,16,19)
InChIKeyBMOZQACCFFGBNV-UHFFFAOYSA-N
XLogP3.26
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240470
7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole
CID 43666215
3-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666503
7-chloro-2-(1-chloroethyl)-1-(3-methylsulfanylpropyl)benzimidazole
CID 63959987
7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole
CID 93303287
7-chloro-2-(1-chloroethyl)-1-(3-propoxypropyl)benzimidazole
CID 82944116
4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60862901
N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]methanesulfonamide
CID 43667669
7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole
CID 63544860
4-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]butanamide
CID 60863978
5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240379
N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-N-methylbutan-2-amine
CID 106004805

Frequently Asked Questions

What is the IUPAC name of 4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide?
The IUPAC name of 4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide (CID 60863795) is 4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide.
What is the SMILES notation for 4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide?
The canonical SMILES for 4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide is CC(Cl)c1nc2cccc(Cl)c2n1CCCC(N)=O.
What is the InChIKey of 4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide?
The InChIKey is BMOZQACCFFGBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-8(14)13-17-10-5-2-4-9(15)12(10)18(13)7-3-6-11(16)19/h2,4-5,8H,3,6-7H2,1H3,(H2,16,19).
What are the key properties of 4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide?
4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide has a molecular weight of 300.19 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide is sourced from PubChem (CID 60863795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).