3-(1H-benzimidazol-2-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide

C16H21N3O2 — CID 30902394

IUPAC3-(1H-benzimidazol-2-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1nc2ccccc2[nH]1)[C@@H]1CCCO1
InChIInChI=1S/C16H21N3O2/c1-11(14-7-4-10-21-14)17-16(20)9-8-15-18-12-5-2-3-6-13(12)19-15/h2-3,5-6,11,14H,4,7-10H2,1H3,(H,17,20)(H,18,19)/t11-,14-/m0/s1
InChIKeyYHXRXQIAGVWWTB-FZMZJTMJSA-N
MW287.36 g/mol
LogP2.18
Rot. Bonds5

About 3-(1H-benzimidazol-2-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide (PubChem CID 30902394) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
PubChem CID30902394
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1nc2ccccc2[nH]1)[C@@H]1CCCO1
InChIInChI=1S/C16H21N3O2/c1-11(14-7-4-10-21-14)17-16(20)9-8-15-18-12-5-2-3-6-13(12)19-15/h2-3,5-6,11,14H,4,7-10H2,1H3,(H,17,20)(H,18,19)/t11-,14-/m0/s1
InChIKeyYHXRXQIAGVWWTB-FZMZJTMJSA-N
XLogP2.18
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
CID 7346632
(2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methylbutanoic acid
CID 61136264
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 94025800
3-(1H-benzimidazol-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725840
2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-hydroxybutanoic acid
CID 43353591
3-(1H-benzimidazol-2-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43393264
3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 43045567
N-[1-(oxolan-2-yl)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979664
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031876
3-(1H-benzimidazol-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]propanamide
CID 42926832
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 35246626
methyl (2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-2-phenylacetate
CID 95065188

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide (CID 30902394) is 3-(1H-benzimidazol-2-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide is C[C@H](NC(=O)CCc1nc2ccccc2[nH]1)[C@@H]1CCCO1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide?
The InChIKey is YHXRXQIAGVWWTB-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(14-7-4-10-21-14)17-16(20)9-8-15-18-12-5-2-3-6-13(12)19-15/h2-3,5-6,11,14H,4,7-10H2,1H3,(H,17,20)(H,18,19)/t11-,14-/m0/s1.
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide is sourced from PubChem (CID 30902394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).