5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1H-imidazole-2-carboxamide

C26H35N5O2 — CID 24874884

IUPAC5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESCOCCN(C)C(C)(C)c1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC(C)(C)CC2)c1
InChIInChI=1S/C26H35N5O2/c1-25(2)11-9-18(10-12-25)21-15-19(26(3,4)31(5)13-14-33-6)7-8-22(21)30-24(32)23-28-17-20(16-27)29-23/h7-9,15,17H,10-14H2,1-6H3,(H,28,29)(H,30,32)
InChIKeyJLYXGCSWHPWBKO-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.94
Rot. Bonds8

About 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1H-imidazole-2-carboxamide (PubChem CID 24874884) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1H-imidazole-2-carboxamide
PubChem CID24874884
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESCOCCN(C)C(C)(C)c1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC(C)(C)CC2)c1
InChIInChI=1S/C26H35N5O2/c1-25(2)11-9-18(10-12-25)21-15-19(26(3,4)31(5)13-14-33-6)7-8-22(21)30-24(32)23-28-17-20(16-27)29-23/h7-9,15,17H,10-14H2,1-6H3,(H,28,29)(H,30,32)
InChIKeyJLYXGCSWHPWBKO-UHFFFAOYSA-N
XLogP4.94
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1H-imidazole-2-carboxamide (CID 24874884) is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1H-imidazole-2-carboxamide is COCCN(C)C(C)(C)c1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC(C)(C)CC2)c1.
What is the InChIKey of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is JLYXGCSWHPWBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-25(2)11-9-18(10-12-25)21-15-19(26(3,4)31(5)13-14-33-6)7-8-22(21)30-24(32)23-28-17-20(16-27)29-23/h7-9,15,17H,10-14H2,1-6H3,(H,28,29)(H,30,32).
What are the key properties of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24874884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).