2-[1-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)anilino]prop-1-enyl]-1H-imidazole-5-carbonitrile

C25H27N5 — CID 118629820

IUPAC2-[1-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)anilino]prop-1-enyl]-1H-imidazole-5-carbonitrile
SMILESCC=C(Nc1ccc(C2(C#N)CC2)cc1C1=CCC(C)(C)CC1)c1ncc(C#N)[nH]1
InChIInChI=1S/C25H27N5/c1-4-21(23-28-15-19(14-26)29-23)30-22-6-5-18(25(16-27)11-12-25)13-20(22)17-7-9-24(2,3)10-8-17/h4-7,13,15,30H,8-12H2,1-3H3,(H,28,29)
InChIKeyCLOKFAIVKSJNQJ-UHFFFAOYSA-N
MW397.53 g/mol
LogP5.90
Rot. Bonds5

About 2-[1-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)anilino]prop-1-enyl]-1H-imidazole-5-carbonitrile

2-[1-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)anilino]prop-1-enyl]-1H-imidazole-5-carbonitrile (PubChem CID 118629820) has the molecular formula C25H27N5 and a molecular weight of 397.53 g/mol. Its IUPAC name is 2-[1-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)anilino]prop-1-enyl]-1H-imidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[1-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)anilino]prop-1-enyl]-1H-imidazole-5-carbonitrile
PubChem CID118629820
Molecular FormulaC25H27N5
Molecular Weight397.53 g/mol
Exact Mass397.23
IUPAC Name2-[1-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)anilino]prop-1-enyl]-1H-imidazole-5-carbonitrile
SMILESCC=C(Nc1ccc(C2(C#N)CC2)cc1C1=CCC(C)(C)CC1)c1ncc(C#N)[nH]1
InChIInChI=1S/C25H27N5/c1-4-21(23-28-15-19(14-26)29-23)30-22-6-5-18(25(16-27)11-12-25)13-20(22)17-7-9-24(2,3)10-8-17/h4-7,13,15,30H,8-12H2,1-3H3,(H,28,29)
InChIKeyCLOKFAIVKSJNQJ-UHFFFAOYSA-N
XLogP5.90
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.53
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)anilino]prop-1-enyl]-1H-imidazole-5-carbonitrile 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-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-[(methylideneamino)methyl]-1H-imidazole-2-carboxamide
CID 148952545
methyl 4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxane-4-carboxylate
CID 24874643
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[3-hydroxy-1,5-bis(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]phenyl]-1H-imidazole-2-carboxamide
CID 68966823
5-cyano-N-[4-[(1S,3R,6S)-1,3-dihydroxy-3,6-bis(hydroxymethyl)-6-iodocycloheptyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide
CID 166734385
S-[1-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(4,4-dimethylcyclohexen-1-yl)phenyl]ethenyl] ethanethioate
CID 89329861
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(5R)-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-1H-imidazole-2-carboxamide
CID 144570247
ethyl 2-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(4,4-dimethylcyclohexen-1-yl)phenyl]-2-hydroxyacetate
CID 58994583
5-cyano-N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide
CID 58994327
4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 58993733
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-piperazin-1-yloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 86616012
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide
CID 24759398
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-imidazole-2-carboxamide;hydrochloride
CID 24875221

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)anilino]prop-1-enyl]-1H-imidazole-5-carbonitrile?
The IUPAC name of 2-[1-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)anilino]prop-1-enyl]-1H-imidazole-5-carbonitrile (CID 118629820) is 2-[1-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)anilino]prop-1-enyl]-1H-imidazole-5-carbonitrile.
What is the SMILES notation for 2-[1-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)anilino]prop-1-enyl]-1H-imidazole-5-carbonitrile?
The canonical SMILES for 2-[1-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)anilino]prop-1-enyl]-1H-imidazole-5-carbonitrile is CC=C(Nc1ccc(C2(C#N)CC2)cc1C1=CCC(C)(C)CC1)c1ncc(C#N)[nH]1.
What is the InChIKey of 2-[1-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)anilino]prop-1-enyl]-1H-imidazole-5-carbonitrile?
The InChIKey is CLOKFAIVKSJNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5/c1-4-21(23-28-15-19(14-26)29-23)30-22-6-5-18(25(16-27)11-12-25)13-20(22)17-7-9-24(2,3)10-8-17/h4-7,13,15,30H,8-12H2,1-3H3,(H,28,29).
What are the key properties of 2-[1-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)anilino]prop-1-enyl]-1H-imidazole-5-carbonitrile?
2-[1-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)anilino]prop-1-enyl]-1H-imidazole-5-carbonitrile has a molecular weight of 397.53 g/mol, XLogP of 5.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(1-cyanocyclopropyl)-2-(4,4-dimethylcyclohexen-1-yl)anilino]prop-1-enyl]-1H-imidazole-5-carbonitrile is sourced from PubChem (CID 118629820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).