4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide

C13H15Cl2N3O — CID 60862901

IUPAC4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1CCCC(N)=O
InChIInChI=1S/C13H15Cl2N3O/c1-8(14)13-17-10-7-9(15)4-5-11(10)18(13)6-2-3-12(16)19/h4-5,7-8H,2-3,6H2,1H3,(H2,16,19)
InChIKeyPEGCRQDSDBULKM-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.26
Rot. Bonds5

About 4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide

4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide (PubChem CID 60862901) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide.

Molecular Properties

Compound Name4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
PubChem CID60862901
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1CCCC(N)=O
InChIInChI=1S/C13H15Cl2N3O/c1-8(14)13-17-10-7-9(15)4-5-11(10)18(13)6-2-3-12(16)19/h4-5,7-8H,2-3,6H2,1H3,(H2,16,19)
InChIKeyPEGCRQDSDBULKM-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'}

Analyze 4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240379
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
4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide
CID 55091707
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60863795
2-[1-(4-amino-4-oxobutyl)-5-chlorobenzimidazol-2-yl]sulfanylacetic acid
CID 60863617
3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol
CID 46308438
5-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240470
5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole
CID 106037753

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide?
The IUPAC name of 4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide (CID 60862901) is 4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide.
What is the SMILES notation for 4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide?
The canonical SMILES for 4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide is CC(Cl)c1nc2cc(Cl)ccc2n1CCCC(N)=O.
What is the InChIKey of 4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide?
The InChIKey is PEGCRQDSDBULKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-8(14)13-17-10-7-9(15)4-5-11(10)18(13)6-2-3-12(16)19/h4-5,7-8H,2-3,6H2,1H3,(H2,16,19).
What are the key properties of 4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide?
4-[5-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-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide is sourced from PubChem (CID 60862901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).