N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylpropanamide

C18H19N3O — CID 709012

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O/c22-18(11-10-14-6-2-1-3-7-14)19-13-12-17-20-15-8-4-5-9-16(15)21-17/h1-9H,10-13H2,(H,19,22)(H,20,21)
InChIKeyIFCOBPUKZRGPNF-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.85
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylpropanamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylpropanamide (PubChem CID 709012) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylpropanamide
PubChem CID709012
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O/c22-18(11-10-14-6-2-1-3-7-14)19-13-12-17-20-15-8-4-5-9-16(15)21-17/h1-9H,10-13H2,(H,19,22)(H,20,21)
InChIKeyIFCOBPUKZRGPNF-UHFFFAOYSA-N
XLogP2.85
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylpropanamide (CID 709012) is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylpropanamide?
The InChIKey is IFCOBPUKZRGPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c22-18(11-10-14-6-2-1-3-7-14)19-13-12-17-20-15-8-4-5-9-16(15)21-17/h1-9H,10-13H2,(H,19,22)(H,20,21).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylpropanamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylpropanamide has a molecular weight of 293.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 709012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).