(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide

C19H21N3O — CID 41083085

IUPAC(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide
SMILESC[C@H](CC(=O)N[C@H](C)c1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C19H21N3O/c1-13(15-8-4-3-5-9-15)12-18(23)20-14(2)19-21-16-10-6-7-11-17(16)22-19/h3-11,13-14H,12H2,1-2H3,(H,20,23)(H,21,22)/t13-,14-/m1/s1
InChIKeyITTHKZHBMWXSBG-ZIAGYGMSSA-N
MW307.40 g/mol
LogP3.93
Rot. Bonds5

About (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide

(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide (PubChem CID 41083085) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide
PubChem CID41083085
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide
SMILESC[C@H](CC(=O)N[C@H](C)c1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C19H21N3O/c1-13(15-8-4-3-5-9-15)12-18(23)20-14(2)19-21-16-10-6-7-11-17(16)22-19/h3-11,13-14H,12H2,1-2H3,(H,20,23)(H,21,22)/t13-,14-/m1/s1
InChIKeyITTHKZHBMWXSBG-ZIAGYGMSSA-N
XLogP3.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-phenylbutanamide
CID 2530693
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 41259236
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide
CID 18116415
propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate
CID 62668799
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18124163

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide?
The IUPAC name of (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide (CID 41083085) is (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide.
What is the SMILES notation for (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide?
The canonical SMILES for (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide is C[C@H](CC(=O)N[C@H](C)c1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide?
The InChIKey is ITTHKZHBMWXSBG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13(15-8-4-3-5-9-15)12-18(23)20-14(2)19-21-16-10-6-7-11-17(16)22-19/h3-11,13-14H,12H2,1-2H3,(H,20,23)(H,21,22)/t13-,14-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide?
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide has a molecular weight of 307.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide is sourced from PubChem (CID 41083085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).