2-(3-cyclohexyl-4-methoxyphenyl)-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide

C27H33F2N3O2 — CID 166844729

IUPAC2-(3-cyclohexyl-4-methoxyphenyl)-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide
SMILESCCC(F)(F)c1cccc(NC(=O)C2=C(C)NC(c3ccc(OC)c(C4CCCCC4)c3)N2)c1
InChIInChI=1S/C27H33F2N3O2/c1-4-27(28,29)20-11-8-12-21(16-20)31-26(33)24-17(2)30-25(32-24)19-13-14-23(34-3)22(15-19)18-9-6-5-7-10-18/h8,11-16,18,25,30,32H,4-7,9-10H2,1-3H3,(H,31,33)
InChIKeyCUBMOJSMHFYKMB-UHFFFAOYSA-N
MW469.58 g/mol
LogP6.31
Rot. Bonds7

About 2-(3-cyclohexyl-4-methoxyphenyl)-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide

2-(3-cyclohexyl-4-methoxyphenyl)-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide (PubChem CID 166844729) has the molecular formula C27H33F2N3O2 and a molecular weight of 469.58 g/mol. Its IUPAC name is 2-(3-cyclohexyl-4-methoxyphenyl)-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-cyclohexyl-4-methoxyphenyl)-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide
PubChem CID166844729
Molecular FormulaC27H33F2N3O2
Molecular Weight469.58 g/mol
Exact Mass469.25
IUPAC Name2-(3-cyclohexyl-4-methoxyphenyl)-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide
SMILESCCC(F)(F)c1cccc(NC(=O)C2=C(C)NC(c3ccc(OC)c(C4CCCCC4)c3)N2)c1
InChIInChI=1S/C27H33F2N3O2/c1-4-27(28,29)20-11-8-12-21(16-20)31-26(33)24-17(2)30-25(32-24)19-13-14-23(34-3)22(15-19)18-9-6-5-7-10-18/h8,11-16,18,25,30,32H,4-7,9-10H2,1-3H3,(H,31,33)
InChIKeyCUBMOJSMHFYKMB-UHFFFAOYSA-N
XLogP6.31
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.58
LogP ≤ 56.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide
CID 166844685
N-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethylcyclohexyl)-4-methoxyphenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175376714
2-[3-acetyl-5-(2,6-dimethylphenyl)phenyl]-N-[3-[cyclopropyl(difluoro)methyl]phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide
CID 166844814
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146622236
4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3931022
(4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 41114782
3-cyclohexyl-4-methoxybenzoic acid
CID 21199438
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
N-[3-(1,1-difluoropropyl)phenyl]-2-[4-methoxy-3-(3-methyl-2-pyridinyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175202525
N-[3-(cyclohexanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880083
2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90012211

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-4-methoxyphenyl)-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide?
The IUPAC name of 2-(3-cyclohexyl-4-methoxyphenyl)-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide (CID 166844729) is 2-(3-cyclohexyl-4-methoxyphenyl)-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide.
What is the SMILES notation for 2-(3-cyclohexyl-4-methoxyphenyl)-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide?
The canonical SMILES for 2-(3-cyclohexyl-4-methoxyphenyl)-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide is CCC(F)(F)c1cccc(NC(=O)C2=C(C)NC(c3ccc(OC)c(C4CCCCC4)c3)N2)c1.
What is the InChIKey of 2-(3-cyclohexyl-4-methoxyphenyl)-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide?
The InChIKey is CUBMOJSMHFYKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F2N3O2/c1-4-27(28,29)20-11-8-12-21(16-20)31-26(33)24-17(2)30-25(32-24)19-13-14-23(34-3)22(15-19)18-9-6-5-7-10-18/h8,11-16,18,25,30,32H,4-7,9-10H2,1-3H3,(H,31,33).
What are the key properties of 2-(3-cyclohexyl-4-methoxyphenyl)-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide?
2-(3-cyclohexyl-4-methoxyphenyl)-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide has a molecular weight of 469.58 g/mol, XLogP of 6.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-4-methoxyphenyl)-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide is sourced from PubChem (CID 166844729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).