N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]-4-methylcyclohexane-1-carboxamide

C27H33N3O — CID 176560146

IUPACN-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]-4-methylcyclohexane-1-carboxamide
SMILESCc1cccc(C(Cc2ccc(NC(=O)C3CCC(C)CC3)cc2)c2cnc[nH]2)c1C
InChIInChI=1S/C27H33N3O/c1-18-7-11-22(12-8-18)27(31)30-23-13-9-21(10-14-23)15-25(26-16-28-17-29-26)24-6-4-5-19(2)20(24)3/h4-6,9-10,13-14,16-18,22,25H,7-8,11-12,15H2,1-3H3,(H,28,29)(H,30,31)
InChIKeyPHZGWXZSNWRQQS-UHFFFAOYSA-N
MW415.58 g/mol
LogP6.17
Rot. Bonds6

About N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]-4-methylcyclohexane-1-carboxamide

N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]-4-methylcyclohexane-1-carboxamide (PubChem CID 176560146) has the molecular formula C27H33N3O and a molecular weight of 415.58 g/mol. Its IUPAC name is N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]-4-methylcyclohexane-1-carboxamide
PubChem CID176560146
Molecular FormulaC27H33N3O
Molecular Weight415.58 g/mol
Exact Mass415.26
IUPAC NameN-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]-4-methylcyclohexane-1-carboxamide
SMILESCc1cccc(C(Cc2ccc(NC(=O)C3CCC(C)CC3)cc2)c2cnc[nH]2)c1C
InChIInChI=1S/C27H33N3O/c1-18-7-11-22(12-8-18)27(31)30-23-13-9-21(10-14-23)15-25(26-16-28-17-29-26)24-6-4-5-19(2)20(24)3/h4-6,9-10,13-14,16-18,22,25H,7-8,11-12,15H2,1-3H3,(H,28,29)(H,30,31)
InChIKeyPHZGWXZSNWRQQS-UHFFFAOYSA-N
XLogP6.17
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]-4-methylcyclohexane-1-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-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]oxane-4-carbothioamide
CID 172505756
2-[[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]benzoyl]amino]acetic acid
CID 172505587
5-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-yl)pyridine-2-carboxamide
CID 172505548
7-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-4H-1,4-benzoxazin-3-one
CID 172505740
N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide
CID 110178754
4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150290
1-[2-[5-(2,3-dimethylphenyl)-5-(1H-imidazol-5-yl)pentoxy]ethyl]-3-methylurea
CID 176560152
5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;formic acid
CID 155150082
3-[3-[(1S)-1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]propanoic acid
CID 154036671
N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide
CID 82254939
N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
CID 28660300
4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 60849609

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]-4-methylcyclohexane-1-carboxamide (CID 176560146) is N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]-4-methylcyclohexane-1-carboxamide is Cc1cccc(C(Cc2ccc(NC(=O)C3CCC(C)CC3)cc2)c2cnc[nH]2)c1C.
What is the InChIKey of N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is PHZGWXZSNWRQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O/c1-18-7-11-22(12-8-18)27(31)30-23-13-9-21(10-14-23)15-25(26-16-28-17-29-26)24-6-4-5-19(2)20(24)3/h4-6,9-10,13-14,16-18,22,25H,7-8,11-12,15H2,1-3H3,(H,28,29)(H,30,31).
What are the key properties of N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]-4-methylcyclohexane-1-carboxamide?
N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 415.58 g/mol, XLogP of 6.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 176560146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).