cis-methyl (1R,2S)-2-[[3-(1H-imidazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylate

C15H15N3O3 — CID 96504504

IUPACcis-methyl (1R,2S)-2-[[3-(1H-imidazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C15H15N3O3/c1-21-15(20)12-8-11(12)14(19)18-10-4-2-3-9(7-10)13-16-5-6-17-13/h2-7,11-12H,8H2,1H3,(H,16,17)(H,18,19)/t11-,12+/m0/s1
InChIKeySFNAQCHPHGYDHJ-NWDGAFQWSA-N
MW285.30 g/mol
LogP1.82
Rot. Bonds4

About cis-methyl (1R,2S)-2-[[3-(1H-imidazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylate

cis-methyl (1R,2S)-2-[[3-(1H-imidazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylate (PubChem CID 96504504) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-[[3-(1H-imidazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-[[3-(1H-imidazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylate
PubChem CID96504504
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namecis-methyl (1R,2S)-2-[[3-(1H-imidazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C15H15N3O3/c1-21-15(20)12-8-11(12)14(19)18-10-4-2-3-9(7-10)13-16-5-6-17-13/h2-7,11-12H,8H2,1H3,(H,16,17)(H,18,19)/t11-,12+/m0/s1
InChIKeySFNAQCHPHGYDHJ-NWDGAFQWSA-N
XLogP1.82
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 120940680
N-[3-(1H-imidazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
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N-[3-(1H-imidazol-2-yl)phenyl]morpholine-3-carboxamide
CID 119871893
4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutanoic acid
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2-amino-N-[3-(1H-imidazol-2-yl)phenyl]acetamide
CID 110470050
2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride
CID 119871919
phenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate
CID 110726422
N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119871944
N-[3-(1H-imidazol-2-yl)phenyl]pyridine-2-carboxamide
CID 110744210
1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea
CID 110748430
(2S,5R)-5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120799547
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride
CID 119871925

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-2-[[3-(1H-imidazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2S)-2-[[3-(1H-imidazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylate (CID 96504504) is cis-methyl (1R,2S)-2-[[3-(1H-imidazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2S)-2-[[3-(1H-imidazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2S)-2-[[3-(1H-imidazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylate is COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2ncc[nH]2)c1.
What is the InChIKey of cis-methyl (1R,2S)-2-[[3-(1H-imidazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylate?
The InChIKey is SFNAQCHPHGYDHJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-21-15(20)12-8-11(12)14(19)18-10-4-2-3-9(7-10)13-16-5-6-17-13/h2-7,11-12H,8H2,1H3,(H,16,17)(H,18,19)/t11-,12+/m0/s1.
What are the key properties of cis-methyl (1R,2S)-2-[[3-(1H-imidazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylate?
cis-methyl (1R,2S)-2-[[3-(1H-imidazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2S)-2-[[3-(1H-imidazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 96504504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).