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

C49H56N8O4 — CID 91306949

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
SMILESC#Cc1cnc(C(=O)Nc2ccc(C(=C)CN3CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(=C)CNCCOC)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C25H28N4O2.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;1-4-20-16-26-23(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);1,8,10-11,14,16,25H,2,5-7,9,12-13,15H2,3H3,(H,26,27)(H,28,29)
InChIKeyRQVFKNKEBJMMJZ-UHFFFAOYSA-N
MW821.04 g/mol
LogP7.80
Rot. Bonds15

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-(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 (PubChem CID 91306949) has the molecular formula C49H56N8O4 and a molecular weight of 821.04 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.

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
PubChem CID91306949
Molecular FormulaC49H56N8O4
Molecular Weight821.04 g/mol
Exact Mass820.44
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
SMILESC#Cc1cnc(C(=O)Nc2ccc(C(=C)CN3CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(=C)CNCCOC)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C25H28N4O2.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;1-4-20-16-26-23(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);1,8,10-11,14,16,25H,2,5-7,9,12-13,15H2,3H3,(H,26,27)(H,28,29)
InChIKeyRQVFKNKEBJMMJZ-UHFFFAOYSA-N
XLogP7.80
TPSA149.29 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.04
LogP ≤ 57.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
CID 58994388
4-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid
CID 58994935
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(3-morpholin-4-ylpropanoyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11692059
N-[2-(cyclohexen-1-yl)-4-(4-hydroxythian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
CID 58994982
N-[2-(cyclohexen-1-yl)-4-[1,2,6-trimethyl-4-(2-morpholin-4-ylethoxy)piperidin-4-yl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide
CID 58994970
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(2-hydroxyethylamino)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11592380
3-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid
CID 24874798
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-imidazole-2-carboxamide;hydrochloride
CID 24875221
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
3-[4-[(5-carbamoyl-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid;3-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid
CID 158889547
5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide
CID 140651560
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;ethane
CID 143447681

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?
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 (CID 91306949) 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.
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?
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 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.
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?
The InChIKey is RQVFKNKEBJMMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2.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;1-4-20-16-26-23(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);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-(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 has a molecular weight of 821.04 g/mol, XLogP of 7.80, 15 rotatable bonds, 5 hydrogen bond donors, and 8 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 is sourced from PubChem (CID 91306949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).