trans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide

C21H21N3O2 — CID 95769974

IUPACtrans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1cccc(-n2ccnc2)c1
InChIInChI=1S/C21H21N3O2/c1-26-20-8-3-2-7-17(20)18-12-19(18)21(25)23-13-15-5-4-6-16(11-15)24-10-9-22-14-24/h2-11,14,18-19H,12-13H2,1H3,(H,23,25)/t18-,19+/m1/s1
InChIKeyNYLQRWQRUZDGAI-MOPGFXCFSA-N
MW347.42 g/mol
LogP3.30
Rot. Bonds6

About trans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 95769974) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID95769974
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Nametrans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1cccc(-n2ccnc2)c1
InChIInChI=1S/C21H21N3O2/c1-26-20-8-3-2-7-17(20)18-12-19(18)21(25)23-13-15-5-4-6-16(11-15)24-10-9-22-14-24/h2-11,14,18-19H,12-13H2,1H3,(H,23,25)/t18-,19+/m1/s1
InChIKeyNYLQRWQRUZDGAI-MOPGFXCFSA-N
XLogP3.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 95629376
trans-(1S,2S)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 95629375
trans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide
CID 95283593
trans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95286253
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 95306827
2-(2-methoxyphenyl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]cyclopropane-1-carboxamide
CID 56785478
trans-(1R,2R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 99773716
cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 95192041
trans-(1S,2S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 99773714
trans-(1R,2R)-2-(2-methoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopropane-1-carboxamide
CID 166236836
1-[(3-imidazol-1-ylphenyl)methyl]-3-(4-methoxy-4-methylpentan-2-yl)urea
CID 71990049
trans-(1R,2R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 98760900

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide (CID 95769974) is trans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1cccc(-n2ccnc2)c1.
What is the InChIKey of trans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is NYLQRWQRUZDGAI-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-20-8-3-2-7-17(20)18-12-19(18)21(25)23-13-15-5-4-6-16(11-15)24-10-9-22-14-24/h2-11,14,18-19H,12-13H2,1H3,(H,23,25)/t18-,19+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95769974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).