N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide

C14H19N3O — CID 751265

IUPACN-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1nc2ccccc2n1C
InChIInChI=1S/C14H19N3O/c1-3-6-14(18)15-10-9-13-16-11-7-4-5-8-12(11)17(13)2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,15,18)
InChIKeyRWZCJCACUUPACW-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.03
Rot. Bonds5

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

N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide (PubChem CID 751265) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide
PubChem CID751265
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1nc2ccccc2n1C
InChIInChI=1S/C14H19N3O/c1-3-6-14(18)15-10-9-13-16-11-7-4-5-8-12(11)17(13)2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,15,18)
InChIKeyRWZCJCACUUPACW-UHFFFAOYSA-N
XLogP2.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide?
The IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide (CID 751265) is N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide is CCCC(=O)NCCc1nc2ccccc2n1C.
What is the InChIKey of N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide?
The InChIKey is RWZCJCACUUPACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-6-14(18)15-10-9-13-16-11-7-4-5-8-12(11)17(13)2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide?
N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide has a molecular weight of 245.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 751265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).