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

C23H22N4O2 — CID 166185377

IUPAC2-(4-cyanophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1C(NC(=O)C1CC1c1ccc(C#N)cc1)c1nccn1C
InChIInChI=1S/C23H22N4O2/c1-27-12-11-25-22(27)21(17-5-3-4-6-20(17)29-2)26-23(28)19-13-18(19)16-9-7-15(14-24)8-10-16/h3-12,18-19,21H,13H2,1-2H3,(H,26,28)
InChIKeyFAJRIVJEPJWGOW-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.31
Rot. Bonds6

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

2-(4-cyanophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 166185377) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID166185377
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-(4-cyanophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1C(NC(=O)C1CC1c1ccc(C#N)cc1)c1nccn1C
InChIInChI=1S/C23H22N4O2/c1-27-12-11-25-22(27)21(17-5-3-4-6-20(17)29-2)26-23(28)19-13-18(19)16-9-7-15(14-24)8-10-16/h3-12,18-19,21H,13H2,1-2H3,(H,26,28)
InChIKeyFAJRIVJEPJWGOW-UHFFFAOYSA-N
XLogP3.31
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923268
2-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 47016416
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 42923292
6-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
CID 41015325
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
N-[(R)-(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 95806849
1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55597981
2-cyclopentyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 47014735
2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 94635187
2-cyclohexylidene-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 71886966
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
4-(1,3-dithian-2-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 24660553

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-cyanophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide (CID 166185377) is 2-(4-cyanophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide is COc1ccccc1C(NC(=O)C1CC1c1ccc(C#N)cc1)c1nccn1C.
What is the InChIKey of 2-(4-cyanophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is FAJRIVJEPJWGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-27-12-11-25-22(27)21(17-5-3-4-6-20(17)29-2)26-23(28)19-13-18(19)16-9-7-15(14-24)8-10-16/h3-12,18-19,21H,13H2,1-2H3,(H,26,28).
What are the key properties of 2-(4-cyanophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
2-(4-cyanophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166185377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).