3-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)propanamide

C19H18N4O2 — CID 130244822

IUPAC3-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)propanamide
SMILESCC(NC(=O)CCc1nc2ccccc2[nH]1)c1cc2ncccc2o1
InChIInChI=1S/C19H18N4O2/c1-12(17-11-15-16(25-17)7-4-10-20-15)21-19(24)9-8-18-22-13-5-2-3-6-14(13)23-18/h2-7,10-12H,8-9H2,1H3,(H,21,24)(H,22,23)
InChIKeySTXFDWVZSTVMMQ-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.51
Rot. Bonds5

About 3-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)propanamide

3-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)propanamide (PubChem CID 130244822) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)propanamide
PubChem CID130244822
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)propanamide
SMILESCC(NC(=O)CCc1nc2ccccc2[nH]1)c1cc2ncccc2o1
InChIInChI=1S/C19H18N4O2/c1-12(17-11-15-16(25-17)7-4-10-20-15)21-19(24)9-8-18-22-13-5-2-3-6-14(13)23-18/h2-7,10-12H,8-9H2,1H3,(H,21,24)(H,22,23)
InChIKeySTXFDWVZSTVMMQ-UHFFFAOYSA-N
XLogP3.51
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 43045567
3-(1H-benzimidazol-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
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3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide
CID 46974251
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 130245599
(2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methylbutanoic acid
CID 61136264
2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-hydroxybutanoic acid
CID 43353591
3-(1H-benzimidazol-2-yl)-N-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]propanamide
CID 130245296
methyl (2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-2-phenylacetate
CID 95065188
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031876
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711282
3-(1H-benzimidazol-2-yl)-N-[1-(5-fluoro-1-methylindol-2-yl)ethyl]propanamide
CID 130245278
methyl (2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-phenylpropanoate
CID 25350540

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)propanamide (CID 130244822) is 3-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)propanamide is CC(NC(=O)CCc1nc2ccccc2[nH]1)c1cc2ncccc2o1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)propanamide?
The InChIKey is STXFDWVZSTVMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12(17-11-15-16(25-17)7-4-10-20-15)21-19(24)9-8-18-22-13-5-2-3-6-14(13)23-18/h2-7,10-12H,8-9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)propanamide?
3-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)propanamide has a molecular weight of 334.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 130244822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).