cis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide

C21H21N3O2 — CID 97082416

IUPACcis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ncc[nH]1)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H21N3O2/c25-21(24-13-20-22-10-11-23-20)19-12-18(19)16-6-8-17(9-7-16)26-14-15-4-2-1-3-5-15/h1-11,18-19H,12-14H2,(H,22,23)(H,24,25)/t18-,19-/m1/s1
InChIKeyQRIRTSZOUFSRFG-RTBURBONSA-N
MW347.42 g/mol
LogP3.41
Rot. Bonds7

About cis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide

cis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 97082416) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is cis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
PubChem CID97082416
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Namecis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ncc[nH]1)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H21N3O2/c25-21(24-13-20-22-10-11-23-20)19-12-18(19)16-6-8-17(9-7-16)26-14-15-4-2-1-3-5-15/h1-11,18-19H,12-14H2,(H,22,23)(H,24,25)/t18-,19-/m1/s1
InChIKeyQRIRTSZOUFSRFG-RTBURBONSA-N
XLogP3.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 97082415
N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945
N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 119406404
N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119496644
trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 130622379
2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119446523
cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674882
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391069
N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119566231
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 166287114

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide (CID 97082416) is cis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide is O=C(NCc1ncc[nH]1)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of cis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is QRIRTSZOUFSRFG-RTBURBONSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-21(24-13-20-22-10-11-23-20)19-12-18(19)16-6-8-17(9-7-16)26-14-15-4-2-1-3-5-15/h1-11,18-19H,12-14H2,(H,22,23)(H,24,25)/t18-,19-/m1/s1.
What are the key properties of cis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97082416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).