N-[3-(1-methylbenzimidazol-2-yl)propyl]butanamide

C15H21N3O — CID 3339494

IUPACN-[3-(1-methylbenzimidazol-2-yl)propyl]butanamide
SMILESCCCC(=O)NCCCc1nc2ccccc2n1C
InChIInChI=1S/C15H21N3O/c1-3-7-15(19)16-11-6-10-14-17-12-8-4-5-9-13(12)18(14)2/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,16,19)
InChIKeyVQUITUGMSIQIMF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.42
Rot. Bonds6

About N-[3-(1-methylbenzimidazol-2-yl)propyl]butanamide

N-[3-(1-methylbenzimidazol-2-yl)propyl]butanamide (PubChem CID 3339494) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[3-(1-methylbenzimidazol-2-yl)propyl]butanamide.

Molecular Properties

Compound NameN-[3-(1-methylbenzimidazol-2-yl)propyl]butanamide
PubChem CID3339494
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[3-(1-methylbenzimidazol-2-yl)propyl]butanamide
SMILESCCCC(=O)NCCCc1nc2ccccc2n1C
InChIInChI=1S/C15H21N3O/c1-3-7-15(19)16-11-6-10-14-17-12-8-4-5-9-13(12)18(14)2/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,16,19)
InChIKeyVQUITUGMSIQIMF-UHFFFAOYSA-N
XLogP2.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]butanamide?
The IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]butanamide (CID 3339494) is N-[3-(1-methylbenzimidazol-2-yl)propyl]butanamide.
What is the SMILES notation for N-[3-(1-methylbenzimidazol-2-yl)propyl]butanamide?
The canonical SMILES for N-[3-(1-methylbenzimidazol-2-yl)propyl]butanamide is CCCC(=O)NCCCc1nc2ccccc2n1C.
What is the InChIKey of N-[3-(1-methylbenzimidazol-2-yl)propyl]butanamide?
The InChIKey is VQUITUGMSIQIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-7-15(19)16-11-6-10-14-17-12-8-4-5-9-13(12)18(14)2/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,16,19).
What are the key properties of N-[3-(1-methylbenzimidazol-2-yl)propyl]butanamide?
N-[3-(1-methylbenzimidazol-2-yl)propyl]butanamide has a molecular weight of 259.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylbenzimidazol-2-yl)propyl]butanamide is sourced from PubChem (CID 3339494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).