N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid

C50H64N6O6 — CID 90685194

IUPACN-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCc1cnc(C(=O)Nc2ccc(C3(O)CCC(C(=O)O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(O)CCCC3)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C26H33N3O4.C24H31N3O2/c1-16-15-27-22(28-16)23(30)29-21-5-4-19(26(33)12-8-18(9-13-26)24(31)32)14-20(21)17-6-10-25(2,3)11-7-17;1-16-15-25-21(26-16)22(28)27-20-7-6-18(24(29)10-4-5-11-24)14-19(20)17-8-12-23(2,3)13-9-17/h4-6,14-15,18,33H,7-13H2,1-3H3,(H,27,28)(H,29,30)(H,31,32);6-8,14-15,29H,4-5,9-13H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyKNWAHNHUPOEGNS-UHFFFAOYSA-N
MW845.10 g/mol
LogP10.35
Rot. Bonds9

About N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid

N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid (PubChem CID 90685194) has the molecular formula C50H64N6O6 and a molecular weight of 845.10 g/mol. Its IUPAC name is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound NameN-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid
PubChem CID90685194
Molecular FormulaC50H64N6O6
Molecular Weight845.10 g/mol
Exact Mass844.49
IUPAC NameN-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCc1cnc(C(=O)Nc2ccc(C3(O)CCC(C(=O)O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(O)CCCC3)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C26H33N3O4.C24H31N3O2/c1-16-15-27-22(28-16)23(30)29-21-5-4-19(26(33)12-8-18(9-13-26)24(31)32)14-20(21)17-6-10-25(2,3)11-7-17;1-16-15-25-21(26-16)22(28)27-20-7-6-18(24(29)10-4-5-11-24)14-19(20)17-8-12-23(2,3)13-9-17/h4-6,14-15,18,33H,7-13H2,1-3H3,(H,27,28)(H,29,30)(H,31,32);6-8,14-15,29H,4-5,9-13H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyKNWAHNHUPOEGNS-UHFFFAOYSA-N
XLogP10.35
TPSA193.32 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500845.10
LogP ≤ 510.35
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(4,4-dimethylcyclohexen-1-yl)phenyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 24826455
5-Cyano-1H-imidazole-2-carboxylic acid [2-(4,4-dimethyl-cyclohex-1-enyl)-4-(1-hydroxy-4-oxo-cyclohexyl)-phenyl]-amide
CID 24826778
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-3-bicyclo[3.2.1]octanyl)phenyl]-1H-imidazole-2-carboxamide
CID 24826781
ethyl 4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(4,4-dimethylcyclohexen-1-yl)phenyl]-4-hydroxycyclohexane-1-carboxylate
CID 58993721
4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 58993723
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4,4-dimethoxycyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 58993724
4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 58993733
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 58993736
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 58993752
N-[4-[4-(dimethylamino)-1-hydroxycyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 58993755
4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylic acid
CID 58993774
methyl 4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(4,4-dimethylcyclohexen-1-yl)phenyl]-4-hydroxycyclohexane-1-carboxylate
CID 68860615

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid (CID 90685194) is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid is Cc1cnc(C(=O)Nc2ccc(C3(O)CCC(C(=O)O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(O)CCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.
What is the InChIKey of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is KNWAHNHUPOEGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4.C24H31N3O2/c1-16-15-27-22(28-16)23(30)29-21-5-4-19(26(33)12-8-18(9-13-26)24(31)32)14-20(21)17-6-10-25(2,3)11-7-17;1-16-15-25-21(26-16)22(28)27-20-7-6-18(24(29)10-4-5-11-24)14-19(20)17-8-12-23(2,3)13-9-17/h4-6,14-15,18,33H,7-13H2,1-3H3,(H,27,28)(H,29,30)(H,31,32);6-8,14-15,29H,4-5,9-13H2,1-3H3,(H,25,26)(H,27,28).
What are the key properties of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid?
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 845.10 g/mol, XLogP of 10.35, 9 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 90685194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).