N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide

C73H90N12O6 — CID 91184590

IUPACN-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESC#Cc1cnc(C(=O)Nc2ccc(C(=C)CN3CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(=C)CNCCOC)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)NCCO)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C25H28N4O2.C24H34N4O2.C24H28N4O2/c1-3-21-16-26-24(27-21)25(30)28-23-10-9-20(15-22(23)19-7-5-4-6-8-19)18(2)17-29-11-13-31-14-12-29;1-16-15-25-21(27-16)22(30)28-20-7-6-18(24(4,5)26-12-13-29)14-19(20)17-8-10-23(2,3)11-9-17;1-4-20-16-26-23(27-20)24(29)28-22-11-10-19(17(2)15-25-12-13-30-3)14-21(22)18-8-6-5-7-9-18/h1,7,9-10,15-16H,2,4-6,8,11-14,17H2,(H,26,27)(H,28,30);6-8,14-15,26,29H,9-13H2,1-5H3,(H,25,27)(H,28,30);1,8,10-11,14,16,25H,2,5-7,9,12-13,15H2,3H3,(H,26,27)(H,28,29)
InChIKeyJUUYXKHMMLEINZ-UHFFFAOYSA-N
MW1231.60 g/mol
LogP12.18
Rot. Bonds22

About N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide

N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 91184590) has the molecular formula C73H90N12O6 and a molecular weight of 1231.60 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
PubChem CID91184590
Molecular FormulaC73H90N12O6
Molecular Weight1231.60 g/mol
Exact Mass1230.71
IUPAC NameN-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESC#Cc1cnc(C(=O)Nc2ccc(C(=C)CN3CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(=C)CNCCOC)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)NCCO)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C25H28N4O2.C24H34N4O2.C24H28N4O2/c1-3-21-16-26-24(27-21)25(30)28-23-10-9-20(15-22(23)19-7-5-4-6-8-19)18(2)17-29-11-13-31-14-12-29;1-16-15-25-21(27-16)22(30)28-20-7-6-18(24(4,5)26-12-13-29)14-19(20)17-8-10-23(2,3)11-9-17;1-4-20-16-26-23(27-20)24(29)28-22-11-10-19(17(2)15-25-12-13-30-3)14-21(22)18-8-6-5-7-9-18/h1,7,9-10,15-16H,2,4-6,8,11-14,17H2,(H,26,27)(H,28,30);6-8,14-15,26,29H,9-13H2,1-5H3,(H,25,27)(H,28,30);1,8,10-11,14,16,25H,2,5-7,9,12-13,15H2,3H3,(H,26,27)(H,28,29)
InChIKeyJUUYXKHMMLEINZ-UHFFFAOYSA-N
XLogP12.18
TPSA239.33 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001231.60
LogP ≤ 512.18
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide with MolForge

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Related Compounds

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-1H-imidazole-2-carboxamide
CID 24874885
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1H-imidazole-2-carboxamide
CID 58994369
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]-1H-imidazole-2-carboxamide
CID 58994593
4-Cyano-1H-imidazole-2-carboxylic acid (2-(4,4-dimethyl-cyclohex-1-enyl)-4-{1-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-1-methyl-ethyl}-phenyl)-amide hydrochloride
CID 72545302
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethylamino)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide
CID 24874887
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-1H-imidazole-2-carboxamide
CID 58994325
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-2-yl]phenyl]-1H-imidazole-2-carboxamide
CID 58994383
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1H-imidazole-2-carboxamide
CID 58994468
4-Cyano-1H-imidazole-2-carboxylic acid {2-(4,4-dimethyl-cyclohex-1-enyl)-4-[1-(2-methoxy-ethylamino)-cyclohexyl]-phenyl}-amide
CID 24826538
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide
CID 24826863
N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 24875023
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-methoxyethylamino)cyclohexyl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 58993713

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide (CID 91184590) is N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide is C#Cc1cnc(C(=O)Nc2ccc(C(=C)CN3CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(=C)CNCCOC)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)NCCO)cc2C2=CCC(C)(C)CC2)[nH]1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The InChIKey is JUUYXKHMMLEINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2.C24H34N4O2.C24H28N4O2/c1-3-21-16-26-24(27-21)25(30)28-23-10-9-20(15-22(23)19-7-5-4-6-8-19)18(2)17-29-11-13-31-14-12-29;1-16-15-25-21(27-16)22(30)28-20-7-6-18(24(4,5)26-12-13-29)14-19(20)17-8-10-23(2,3)11-9-17;1-4-20-16-26-23(27-20)24(29)28-22-11-10-19(17(2)15-25-12-13-30-3)14-21(22)18-8-6-5-7-9-18/h1,7,9-10,15-16H,2,4-6,8,11-14,17H2,(H,26,27)(H,28,30);6-8,14-15,26,29H,9-13H2,1-5H3,(H,25,27)(H,28,30);1,8,10-11,14,16,25H,2,5-7,9,12-13,15H2,3H3,(H,26,27)(H,28,29).
What are the key properties of N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?
N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 1231.60 g/mol, XLogP of 12.18, 22 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 91184590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).