N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide

C26H36N4O2 — CID 58994397

IUPACN-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C26H36N4O2/c1-18-17-27-23(28-18)24(31)29-22-7-6-20(26(4,5)30-12-14-32-15-13-30)16-21(22)19-8-10-25(2,3)11-9-19/h6-8,16-17H,9-15H2,1-5H3,(H,27,28)(H,29,31)
InChIKeyKZJXYDDKAQXMBB-UHFFFAOYSA-N
MW436.60 g/mol
LogP5.13
Rot. Bonds5

About N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide

N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 58994397) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
PubChem CID58994397
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC NameN-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C26H36N4O2/c1-18-17-27-23(28-18)24(31)29-22-7-6-20(26(4,5)30-12-14-32-15-13-30)16-21(22)19-8-10-25(2,3)11-9-19/h6-8,16-17H,9-15H2,1-5H3,(H,27,28)(H,29,31)
InChIKeyKZJXYDDKAQXMBB-UHFFFAOYSA-N
XLogP5.13
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide (CID 58994397) is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.
What is the InChIKey of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The InChIKey is KZJXYDDKAQXMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-18-17-27-23(28-18)24(31)29-22-7-6-20(26(4,5)30-12-14-32-15-13-30)16-21(22)19-8-10-25(2,3)11-9-19/h6-8,16-17H,9-15H2,1-5H3,(H,27,28)(H,29,31).
What are the key properties of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 58994397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).