2-(benzimidazol-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide

C15H21N3O2 — CID 115771254

IUPAC2-(benzimidazol-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide
SMILESCCN(CCCO)C(=O)C(C)n1cnc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-3-17(9-6-10-19)15(20)12(2)18-11-16-13-7-4-5-8-14(13)18/h4-5,7-8,11-12,19H,3,6,9-10H2,1-2H3
InChIKeyCHYHXHNGCNNNEB-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.83
Rot. Bonds6

About 2-(benzimidazol-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide

2-(benzimidazol-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide (PubChem CID 115771254) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide
PubChem CID115771254
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(benzimidazol-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide
SMILESCCN(CCCO)C(=O)C(C)n1cnc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-3-17(9-6-10-19)15(20)12(2)18-11-16-13-7-4-5-8-14(13)18/h4-5,7-8,11-12,19H,3,6,9-10H2,1-2H3
InChIKeyCHYHXHNGCNNNEB-UHFFFAOYSA-N
XLogP1.83
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide
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2-(benzimidazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 46429703
(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
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CID 115968731
2-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 131904053
2-(benzimidazol-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methylpropanamide
CID 46605569
3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide
CID 42893030
2-(benzimidazol-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 50984844
3-(benzimidazol-1-yl)butanoic acid
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CID 115700986

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide (CID 115771254) is 2-(benzimidazol-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide is CCN(CCCO)C(=O)C(C)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide?
The InChIKey is CHYHXHNGCNNNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-17(9-6-10-19)15(20)12(2)18-11-16-13-7-4-5-8-14(13)18/h4-5,7-8,11-12,19H,3,6,9-10H2,1-2H3.
What are the key properties of 2-(benzimidazol-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide?
2-(benzimidazol-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide has a molecular weight of 275.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 115771254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).