N-[5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide

C22H22ClN3O2 — CID 58609829

IUPACN-[5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ncc(Cc4ccccc4Cl)n3C)CC2)cc1
InChIInChI=1S/C22H22ClN3O2/c1-26-17(13-15-5-3-4-6-19(15)23)14-24-21(26)25-20(27)22(11-12-22)16-7-9-18(28-2)10-8-16/h3-10,14H,11-13H2,1-2H3,(H,24,25,27)
InChIKeyJLHNMKXBERTIMK-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.34
Rot. Bonds6

About N-[5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide

N-[5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 58609829) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID58609829
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ncc(Cc4ccccc4Cl)n3C)CC2)cc1
InChIInChI=1S/C22H22ClN3O2/c1-26-17(13-15-5-3-4-6-19(15)23)14-24-21(26)25-20(27)22(11-12-22)16-7-9-18(28-2)10-8-16/h3-10,14H,11-13H2,1-2H3,(H,24,25,27)
InChIKeyJLHNMKXBERTIMK-UHFFFAOYSA-N
XLogP4.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 11604668
N-[6-(2-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 59166215
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 58554483
1-(4-chlorophenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 68924011
N-[6-(2-ethylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 58347353
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 58610007
1-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 110485671
1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 113198528
1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 11683549
N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198551
N-[(2-fluorophenyl)methyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198405

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 58609829) is N-[5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)Nc3ncc(Cc4ccccc4Cl)n3C)CC2)cc1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is JLHNMKXBERTIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-26-17(13-15-5-3-4-6-19(15)23)14-24-21(26)25-20(27)22(11-12-22)16-7-9-18(28-2)10-8-16/h3-10,14H,11-13H2,1-2H3,(H,24,25,27).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
N-[5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 58609829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).