N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;hydrochloride

C49H70ClN7O4 — CID 160660317

IUPACN-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;hydrochloride
SMILESCCN(C)CCCc1ccc(NC(=O)c2ccc(C)o2)c(N2CCC(C)CC2)c1.Cc1cnc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cl
InChIInChI=1S/C25H34N4O2.C24H35N3O2.ClH/c1-18-17-26-23(27-18)24(30)28-22-5-4-19(8-11-29-12-14-31-15-13-29)16-21(22)20-6-9-25(2,3)10-7-20;1-5-26(4)14-6-7-20-9-10-21(25-24(28)23-11-8-19(3)29-23)22(17-20)27-15-12-18(2)13-16-27;/h4-6,16-17H,7-15H2,1-3H3,(H,26,27)(H,28,30);8-11,17-18H,5-7,12-16H2,1-4H3,(H,25,28);1H
InChIKeyKZWJTMYPUNISLH-UHFFFAOYSA-N
MW856.60 g/mol
LogP9.82
Rot. Bonds14

About N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;hydrochloride

N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;hydrochloride (PubChem CID 160660317) has the molecular formula C49H70ClN7O4 and a molecular weight of 856.60 g/mol. Its IUPAC name is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;hydrochloride
PubChem CID160660317
Molecular FormulaC49H70ClN7O4
Molecular Weight856.60 g/mol
Exact Mass855.52
IUPAC NameN-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;hydrochloride
SMILESCCN(C)CCCc1ccc(NC(=O)c2ccc(C)o2)c(N2CCC(C)CC2)c1.Cc1cnc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cl
InChIInChI=1S/C25H34N4O2.C24H35N3O2.ClH/c1-18-17-26-23(27-18)24(30)28-22-5-4-19(8-11-29-12-14-31-15-13-29)16-21(22)20-6-9-25(2,3)10-7-20;1-5-26(4)14-6-7-20-9-10-21(25-24(28)23-11-8-19(3)29-23)22(17-20)27-15-12-18(2)13-16-27;/h4-6,16-17H,7-15H2,1-3H3,(H,26,27)(H,28,30);8-11,17-18H,5-7,12-16H2,1-4H3,(H,25,28);1H
InChIKeyKZWJTMYPUNISLH-UHFFFAOYSA-N
XLogP9.82
TPSA118.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.60
LogP ≤ 59.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;hydrochloride with MolForge

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Related Compounds

2-(4-{2-[4-(5-Carbamimidoyl-benzofuran-2-carbonyl)-piperazin-1-yl]-2-oxo-ethoxy}-phenoxy)-N-[4-(1H-imidazol-4-yl)-phenyl]-acetamide
CID 44339859
N-[2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
CID 129032640
US10730889, Example 263
CID 89793454
US10730889, Example 310
CID 90013037
N-[4-[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 47085731
[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone
CID 16668712
[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone
CID 110219198
4-[(4-butylphenyl)carbamoylamino]-2-[[5-(4-phenylpiperazine-1-carbonyl)furan-2-yl]methyl]-1H-imidazole-5-carboxamide
CID 44181528
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-3-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 45376883
5-(2-Pyridin-4-ylmethyl-3H-benzimidazol-5-yl)-furan-2-carboxylic acid ((S)-cyclohexyl-methylcarbamoyl-methyl)-amide
CID 45376884
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 45376885
5-tert-butyl-3-methyl-N-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]furan-2-carboxamide
CID 58973152

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;hydrochloride (CID 160660317) is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;hydrochloride is CCN(C)CCCc1ccc(NC(=O)c2ccc(C)o2)c(N2CCC(C)CC2)c1.Cc1cnc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cl.
What is the InChIKey of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is KZWJTMYPUNISLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2.C24H35N3O2.ClH/c1-18-17-26-23(27-18)24(30)28-22-5-4-19(8-11-29-12-14-31-15-13-29)16-21(22)20-6-9-25(2,3)10-7-20;1-5-26(4)14-6-7-20-9-10-21(25-24(28)23-11-8-19(3)29-23)22(17-20)27-15-12-18(2)13-16-27;/h4-6,16-17H,7-15H2,1-3H3,(H,26,27)(H,28,30);8-11,17-18H,5-7,12-16H2,1-4H3,(H,25,28);1H.
What are the key properties of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;hydrochloride?
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 856.60 g/mol, XLogP of 9.82, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 160660317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).