trans-(1S,2S)-2-(3-chlorophenyl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide

C18H20ClN3O — CID 94801050

IUPACtrans-(1S,2S)-2-(3-chlorophenyl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCn1ccnc1CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C18H20ClN3O/c1-21-8-7-20-17(21)11-22(14-5-6-14)18(23)16-10-15(16)12-3-2-4-13(19)9-12/h2-4,7-9,14-16H,5-6,10-11H2,1H3/t15-,16+/m1/s1
InChIKeySQCXKTFJKYLSMP-CVEARBPZSA-N
MW329.83 g/mol
LogP3.37
Rot. Bonds5

About trans-(1S,2S)-2-(3-chlorophenyl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(3-chlorophenyl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 94801050) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-chlorophenyl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-chlorophenyl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID94801050
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Nametrans-(1S,2S)-2-(3-chlorophenyl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCn1ccnc1CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C18H20ClN3O/c1-21-8-7-20-17(21)11-22(14-5-6-14)18(23)16-10-15(16)12-3-2-4-13(19)9-12/h2-4,7-9,14-16H,5-6,10-11H2,1H3/t15-,16+/m1/s1
InChIKeySQCXKTFJKYLSMP-CVEARBPZSA-N
XLogP3.37
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-2-(3-chlorophenyl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-chlorophenyl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(3-chlorophenyl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide (CID 94801050) is trans-(1S,2S)-2-(3-chlorophenyl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(3-chlorophenyl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(3-chlorophenyl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide is Cn1ccnc1CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)C1CC1.
What is the InChIKey of trans-(1S,2S)-2-(3-chlorophenyl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is SQCXKTFJKYLSMP-CVEARBPZSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-21-8-7-20-17(21)11-22(14-5-6-14)18(23)16-10-15(16)12-3-2-4-13(19)9-12/h2-4,7-9,14-16H,5-6,10-11H2,1H3/t15-,16+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(3-chlorophenyl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(3-chlorophenyl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3-chlorophenyl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 94801050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).