3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide

C19H21N3O — CID 35955679

IUPAC3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
SMILESC[C@@H](CNC(=O)CCc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C19H21N3O/c1-14(15-7-3-2-4-8-15)13-20-19(23)12-11-18-21-16-9-5-6-10-17(16)22-18/h2-10,14H,11-13H2,1H3,(H,20,23)(H,21,22)/t14-/m0/s1
InChIKeyIGUMCSBMGHAPFJ-AWEZNQCLSA-N
MW307.40 g/mol
LogP3.42
Rot. Bonds6

About 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide (PubChem CID 35955679) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
PubChem CID35955679
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
SMILESC[C@@H](CNC(=O)CCc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C19H21N3O/c1-14(15-7-3-2-4-8-15)13-20-19(23)12-11-18-21-16-9-5-6-10-17(16)22-18/h2-10,14H,11-13H2,1H3,(H,20,23)(H,21,22)/t14-/m0/s1
InChIKeyIGUMCSBMGHAPFJ-AWEZNQCLSA-N
XLogP3.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031876
3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 155949013
3-(1H-benzimidazol-2-yl)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103770477
N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide
CID 134032843
1-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-3-(2-phenylpropyl)guanidine
CID 111342565
(2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methylbutanoic acid
CID 61136264
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide
CID 94026684
methyl (2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-2-phenylacetate
CID 95065188
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172764
2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-hydroxybutanoic acid
CID 43353591
3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide
CID 27163927
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide (CID 35955679) is 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide is C[C@@H](CNC(=O)CCc1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide?
The InChIKey is IGUMCSBMGHAPFJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14(15-7-3-2-4-8-15)13-20-19(23)12-11-18-21-16-9-5-6-10-17(16)22-18/h2-10,14H,11-13H2,1H3,(H,20,23)(H,21,22)/t14-/m0/s1.
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide has a molecular weight of 307.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide is sourced from PubChem (CID 35955679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).