2-(1,4-dimethylcyclohexyl)-2-[2-ethyl-5-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-methylimidazol-4-amine

C28H34N4 — CID 129193955

IUPAC2-(1,4-dimethylcyclohexyl)-2-[2-ethyl-5-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-methylimidazol-4-amine
SMILESCC#Cc1cncc(-c2ccc(CC)c(C3(C4(C)CCC(C)CC4)N=C(C)C(N)=N3)c2)c1
InChIInChI=1S/C28H34N4/c1-6-8-21-15-24(18-30-17-21)23-10-9-22(7-2)25(16-23)28(31-20(4)26(29)32-28)27(5)13-11-19(3)12-14-27/h9-10,15-19H,7,11-14H2,1-5H3,(H2,29,32)
InChIKeyUTRIEGJNHFGXJI-UHFFFAOYSA-N
MW426.61 g/mol
LogP5.88
Rot. Bonds4

About 2-(1,4-dimethylcyclohexyl)-2-[2-ethyl-5-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-methylimidazol-4-amine

2-(1,4-dimethylcyclohexyl)-2-[2-ethyl-5-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-methylimidazol-4-amine (PubChem CID 129193955) has the molecular formula C28H34N4 and a molecular weight of 426.61 g/mol. Its IUPAC name is 2-(1,4-dimethylcyclohexyl)-2-[2-ethyl-5-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-methylimidazol-4-amine.

Molecular Properties

Compound Name2-(1,4-dimethylcyclohexyl)-2-[2-ethyl-5-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-methylimidazol-4-amine
PubChem CID129193955
Molecular FormulaC28H34N4
Molecular Weight426.61 g/mol
Exact Mass426.28
IUPAC Name2-(1,4-dimethylcyclohexyl)-2-[2-ethyl-5-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-methylimidazol-4-amine
SMILESCC#Cc1cncc(-c2ccc(CC)c(C3(C4(C)CCC(C)CC4)N=C(C)C(N)=N3)c2)c1
InChIInChI=1S/C28H34N4/c1-6-8-21-15-24(18-30-17-21)23-10-9-22(7-2)25(16-23)28(31-20(4)26(29)32-28)27(5)13-11-19(3)12-14-27/h9-10,15-19H,7,11-14H2,1-5H3,(H2,29,32)
InChIKeyUTRIEGJNHFGXJI-UHFFFAOYSA-N
XLogP5.88
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.61
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1,4-dimethylcyclohexyl)-2-[2-ethyl-5-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-methylimidazol-4-amine 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

4-[4-amino-2-[2-ethyl-5-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-methylimidazol-2-yl]cyclohexan-1-ol
CID 146324462
CID 174011226
CID 174011226
CID 158314859
CID 158314859
CID 139431181
CID 139431181
CID 118592409
CID 118592409
3-(4'-methoxy-3,3-dimethylspiro[1H-indene-2,1'-cyclohexane]-5-yl)-5-prop-1-ynylpyridine
CID 130444127
CID 140897845
CID 140897845
3-[3-[4-amino-2-(4-methoxycyclohexyl)-5-methylimidazol-2-yl]-4-ethylphenyl]-5-methoxybenzonitrile
CID 129193314
CID 57386920
CID 57386920
6'-(5-Chloropyridin-3-yl)-4,4-difluoro-5''-methyl-3'H-dispiro[cyclo hexane-1,2'-indene-1',2''-imidazol]-4''-amine
CID 57386149
(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[2-(5-prop-1-ynyl-3-pyridinyl)-4-pyridinyl]-5H-pyrimidin-4-one
CID 24867187
(6S)-2-amino-3,6-dimethyl-6-[4-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one
CID 23627211

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylcyclohexyl)-2-[2-ethyl-5-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-methylimidazol-4-amine?
The IUPAC name of 2-(1,4-dimethylcyclohexyl)-2-[2-ethyl-5-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-methylimidazol-4-amine (CID 129193955) is 2-(1,4-dimethylcyclohexyl)-2-[2-ethyl-5-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-methylimidazol-4-amine.
What is the SMILES notation for 2-(1,4-dimethylcyclohexyl)-2-[2-ethyl-5-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-methylimidazol-4-amine?
The canonical SMILES for 2-(1,4-dimethylcyclohexyl)-2-[2-ethyl-5-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-methylimidazol-4-amine is CC#Cc1cncc(-c2ccc(CC)c(C3(C4(C)CCC(C)CC4)N=C(C)C(N)=N3)c2)c1.
What is the InChIKey of 2-(1,4-dimethylcyclohexyl)-2-[2-ethyl-5-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-methylimidazol-4-amine?
The InChIKey is UTRIEGJNHFGXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4/c1-6-8-21-15-24(18-30-17-21)23-10-9-22(7-2)25(16-23)28(31-20(4)26(29)32-28)27(5)13-11-19(3)12-14-27/h9-10,15-19H,7,11-14H2,1-5H3,(H2,29,32).
What are the key properties of 2-(1,4-dimethylcyclohexyl)-2-[2-ethyl-5-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-methylimidazol-4-amine?
2-(1,4-dimethylcyclohexyl)-2-[2-ethyl-5-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-methylimidazol-4-amine has a molecular weight of 426.61 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylcyclohexyl)-2-[2-ethyl-5-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-methylimidazol-4-amine is sourced from PubChem (CID 129193955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).