N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide

C14H18ClN3O — CID 63308679

IUPACN-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
SMILESO=C(CCCCl)NCCCn1cnc2ccccc21
InChIInChI=1S/C14H18ClN3O/c15-8-3-7-14(19)16-9-4-10-18-11-17-12-5-1-2-6-13(12)18/h1-2,5-6,11H,3-4,7-10H2,(H,16,19)
InChIKeyUNDRYHIOVRSDFU-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.56
Rot. Bonds7

About N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide

N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide (PubChem CID 63308679) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
PubChem CID63308679
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
SMILESO=C(CCCCl)NCCCn1cnc2ccccc21
InChIInChI=1S/C14H18ClN3O/c15-8-3-7-14(19)16-9-4-10-18-11-17-12-5-1-2-6-13(12)18/h1-2,5-6,11H,3-4,7-10H2,(H,16,19)
InChIKeyUNDRYHIOVRSDFU-UHFFFAOYSA-N
XLogP2.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.56
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

N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
1-(6-chlorohexyl)benzimidazole
CID 62228178
N-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide
CID 51277131
(E)-4-[3-(benzimidazol-1-yl)propylamino]-4-oxobut-2-enoic acid
CID 60940726
N-[3-(benzimidazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide
CID 51221849
N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide
CID 47412640
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 51221928
N-[3-(benzimidazol-1-yl)propyl]-2-(4-iodopyrazol-1-yl)acetamide
CID 91956165
N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 24553388
N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide
CID 51214747
N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119834602

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide (CID 63308679) is N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide is O=C(CCCCl)NCCCn1cnc2ccccc21.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide?
The InChIKey is UNDRYHIOVRSDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-8-3-7-14(19)16-9-4-10-18-11-17-12-5-1-2-6-13(12)18/h1-2,5-6,11H,3-4,7-10H2,(H,16,19).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide?
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide has a molecular weight of 279.77 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide is sourced from PubChem (CID 63308679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).