N-(3H-benzimidazol-5-yl)-3-chloropropanamide

C10H10ClN3O — CID 110460990

IUPACN-(3H-benzimidazol-5-yl)-3-chloropropanamide
SMILESO=C(CCCl)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C10H10ClN3O/c11-4-3-10(15)14-7-1-2-8-9(5-7)13-6-12-8/h1-2,5-6H,3-4H2,(H,12,13)(H,14,15)
InChIKeyCADKYJFFDXYUJL-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.13
Rot. Bonds3

About N-(3H-benzimidazol-5-yl)-3-chloropropanamide

N-(3H-benzimidazol-5-yl)-3-chloropropanamide (PubChem CID 110460990) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-3-chloropropanamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-3-chloropropanamide
PubChem CID110460990
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC NameN-(3H-benzimidazol-5-yl)-3-chloropropanamide
SMILESO=C(CCCl)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C10H10ClN3O/c11-4-3-10(15)14-7-1-2-8-9(5-7)13-6-12-8/h1-2,5-6H,3-4H2,(H,12,13)(H,14,15)
InChIKeyCADKYJFFDXYUJL-UHFFFAOYSA-N
XLogP2.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3H-benzimidazol-5-ylcarbamothioic S-acid
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3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
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CID 115192411
1-(3H-benzimidazol-5-yl)-3-chloropropan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-3-chloropropanamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-3-chloropropanamide (CID 110460990) is N-(3H-benzimidazol-5-yl)-3-chloropropanamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-3-chloropropanamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-3-chloropropanamide is O=C(CCCl)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-3-chloropropanamide?
The InChIKey is CADKYJFFDXYUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-4-3-10(15)14-7-1-2-8-9(5-7)13-6-12-8/h1-2,5-6H,3-4H2,(H,12,13)(H,14,15).
What are the key properties of N-(3H-benzimidazol-5-yl)-3-chloropropanamide?
N-(3H-benzimidazol-5-yl)-3-chloropropanamide has a molecular weight of 223.66 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-3-chloropropanamide is sourced from PubChem (CID 110460990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).