cis-(1S,2R)-2-(3-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide

C20H18ClN3O — CID 97014244

IUPACcis-(1S,2R)-2-(3-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1-n1ccnc1)[C@H]1C[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O/c21-16-6-3-5-14(10-16)17-11-18(17)20(25)23-12-15-4-1-2-7-19(15)24-9-8-22-13-24/h1-10,13,17-18H,11-12H2,(H,23,25)/t17-,18-/m0/s1
InChIKeyLFNMTNLGFXSFNG-ROUUACIJSA-N
MW351.84 g/mol
LogP3.95
Rot. Bonds5

About cis-(1S,2R)-2-(3-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-(3-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 97014244) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is cis-(1S,2R)-2-(3-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(3-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID97014244
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Namecis-(1S,2R)-2-(3-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1-n1ccnc1)[C@H]1C[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O/c21-16-6-3-5-14(10-16)17-11-18(17)20(25)23-12-15-4-1-2-7-19(15)24-9-8-22-13-24/h1-10,13,17-18H,11-12H2,(H,23,25)/t17-,18-/m0/s1
InChIKeyLFNMTNLGFXSFNG-ROUUACIJSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(3-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(3-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide (CID 97014244) is cis-(1S,2R)-2-(3-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(3-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(3-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide is O=C(NCc1ccccc1-n1ccnc1)[C@H]1C[C@H]1c1cccc(Cl)c1.
What is the InChIKey of cis-(1S,2R)-2-(3-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is LFNMTNLGFXSFNG-ROUUACIJSA-N. The full InChI is InChI=1S/C20H18ClN3O/c21-16-6-3-5-14(10-16)17-11-18(17)20(25)23-12-15-4-1-2-7-19(15)24-9-8-22-13-24/h1-10,13,17-18H,11-12H2,(H,23,25)/t17-,18-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(3-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(3-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(3-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97014244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).