3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide

C19H21N3O2 — CID 155949013

IUPAC3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NCCC(O)c1ccccc1
InChIInChI=1S/C19H21N3O2/c23-17(14-6-2-1-3-7-14)12-13-20-19(24)11-10-18-21-15-8-4-5-9-16(15)22-18/h1-9,17,23H,10-13H2,(H,20,24)(H,21,22)
InChIKeyKJKGYPMUQBAFOW-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.74
Rot. Bonds7

About 3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide

3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide (PubChem CID 155949013) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
PubChem CID155949013
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NCCC(O)c1ccccc1
InChIInChI=1S/C19H21N3O2/c23-17(14-6-2-1-3-7-14)12-13-20-19(24)11-10-18-21-15-8-4-5-9-16(15)22-18/h1-9,17,23H,10-13H2,(H,20,24)(H,21,22)
InChIKeyKJKGYPMUQBAFOW-UHFFFAOYSA-N
XLogP2.74
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 35955679
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031876
3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide
CID 27163927
3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide
CID 42123055
2-[2-[3-(1H-benzimidazol-2-yl)propanoylamino]ethoxy]acetic acid
CID 79469685
3-(1H-benzimidazol-2-yl)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103770477
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429
3-(1H-benzimidazol-2-yl)-N-(3-phenylmethoxypropyl)propanamide
CID 18145899
N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide
CID 134032843
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-(3-hydroxy-3-phenylpropyl)propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide (CID 155949013) is 3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide is O=C(CCc1nc2ccccc2[nH]1)NCCC(O)c1ccccc1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide?
The InChIKey is KJKGYPMUQBAFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-17(14-6-2-1-3-7-14)12-13-20-19(24)11-10-18-21-15-8-4-5-9-16(15)22-18/h1-9,17,23H,10-13H2,(H,20,24)(H,21,22).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide?
3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide has a molecular weight of 323.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide is sourced from PubChem (CID 155949013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).