N-[2-(1-benzylbenzimidazol-2-yl)ethyl]propanamide

C19H21N3O — CID 718241

IUPACN-[2-(1-benzylbenzimidazol-2-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C19H21N3O/c1-2-19(23)20-13-12-18-21-16-10-6-7-11-17(16)22(18)14-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,20,23)
InChIKeyYMRJNJIDRYZYMN-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.15
Rot. Bonds6

About N-[2-(1-benzylbenzimidazol-2-yl)ethyl]propanamide

N-[2-(1-benzylbenzimidazol-2-yl)ethyl]propanamide (PubChem CID 718241) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[2-(1-benzylbenzimidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(1-benzylbenzimidazol-2-yl)ethyl]propanamide
PubChem CID718241
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[2-(1-benzylbenzimidazol-2-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C19H21N3O/c1-2-19(23)20-13-12-18-21-16-10-6-7-11-17(16)22(18)14-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,20,23)
InChIKeyYMRJNJIDRYZYMN-UHFFFAOYSA-N
XLogP3.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylbenzimidazol-2-yl)ethyl]propanamide?
The IUPAC name of N-[2-(1-benzylbenzimidazol-2-yl)ethyl]propanamide (CID 718241) is N-[2-(1-benzylbenzimidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(1-benzylbenzimidazol-2-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(1-benzylbenzimidazol-2-yl)ethyl]propanamide is CCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of N-[2-(1-benzylbenzimidazol-2-yl)ethyl]propanamide?
The InChIKey is YMRJNJIDRYZYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-2-19(23)20-13-12-18-21-16-10-6-7-11-17(16)22(18)14-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,20,23).
What are the key properties of N-[2-(1-benzylbenzimidazol-2-yl)ethyl]propanamide?
N-[2-(1-benzylbenzimidazol-2-yl)ethyl]propanamide has a molecular weight of 307.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylbenzimidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 718241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).