2-imidazol-1-yl-N-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]acetamide

C21H21N3O2 — CID 95909012

IUPAC2-imidazol-1-yl-N-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]acetamide
SMILESO=C(Cn1ccnc1)N[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H21N3O2/c25-21(13-24-11-10-22-15-24)23-20-12-19(20)17-6-8-18(9-7-17)26-14-16-4-2-1-3-5-16/h1-11,15,19-20H,12-14H2,(H,23,25)/t19-,20-/m0/s1
InChIKeyUWEQFFKREILZAL-PMACEKPBSA-N
MW347.42 g/mol
LogP3.13
Rot. Bonds7

About 2-imidazol-1-yl-N-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]acetamide

2-imidazol-1-yl-N-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]acetamide (PubChem CID 95909012) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]acetamide
PubChem CID95909012
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-imidazol-1-yl-N-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]acetamide
SMILESO=C(Cn1ccnc1)N[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H21N3O2/c25-21(13-24-11-10-22-15-24)23-20-12-19(20)17-6-8-18(9-7-17)26-14-16-4-2-1-3-5-16/h1-11,15,19-20H,12-14H2,(H,23,25)/t19-,20-/m0/s1
InChIKeyUWEQFFKREILZAL-PMACEKPBSA-N
XLogP3.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-imidazol-1-yl-N-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]carbamate
CID 101043563
2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide
CID 70907298
2-(3-aminopyrazol-1-yl)-N-(2-phenylcyclopropyl)acetamide
CID 62113920
N-[(1R,2S,3R,4R)-2-[benzyl(methyl)amino]-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]cyclopentyl]-2-imidazol-1-ylacetamide
CID 129459829
1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide
CID 89492554
N-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine
CID 78097111
5,5-dimethylhexyl N-[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]carbamate
CID 142717274
trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 174895535
5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine
CID 56639915
N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945
1-imidazol-1-yl-3-phenoxypropan-2-one
CID 135386430
benzyl N-(2-phenylcyclopropyl)carbamate
CID 12682022

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]acetamide?
The IUPAC name of 2-imidazol-1-yl-N-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]acetamide (CID 95909012) is 2-imidazol-1-yl-N-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]acetamide?
The canonical SMILES for 2-imidazol-1-yl-N-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]acetamide is O=C(Cn1ccnc1)N[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-imidazol-1-yl-N-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]acetamide?
The InChIKey is UWEQFFKREILZAL-PMACEKPBSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-21(13-24-11-10-22-15-24)23-20-12-19(20)17-6-8-18(9-7-17)26-14-16-4-2-1-3-5-16/h1-11,15,19-20H,12-14H2,(H,23,25)/t19-,20-/m0/s1.
What are the key properties of 2-imidazol-1-yl-N-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]acetamide?
2-imidazol-1-yl-N-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]acetamide is sourced from PubChem (CID 95909012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).