(5Z)-5-[2-[4-(ethylamino)butan-2-yl]-4-piperidin-4-ylidene-1H-imidazol-5-ylidene]-2,3-dihydroinden-1-amine

C23H33N5 — CID 177039812

IUPAC(5Z)-5-[2-[4-(ethylamino)butan-2-yl]-4-piperidin-4-ylidene-1H-imidazol-5-ylidene]-2,3-dihydroinden-1-amine
SMILESCCNCCC(C)c1nc(=C2CCNCC2)/c(=c2\ccc3c(c2)CCC=3N)[nH]1
InChIInChI=1S/C23H33N5/c1-3-25-11-8-15(2)23-27-21(16-9-12-26-13-10-16)22(28-23)18-4-6-19-17(14-18)5-7-20(19)24/h4,6,14-15,25-26H,3,5,7-13,24H2,1-2H3,(H,27,28)/b22-18-
InChIKeyNYMVEKZAKCLFJU-PYCFMQQDSA-N
MW379.55 g/mol
LogP1.35
Rot. Bonds5

About (5Z)-5-[2-[4-(ethylamino)butan-2-yl]-4-piperidin-4-ylidene-1H-imidazol-5-ylidene]-2,3-dihydroinden-1-amine

(5Z)-5-[2-[4-(ethylamino)butan-2-yl]-4-piperidin-4-ylidene-1H-imidazol-5-ylidene]-2,3-dihydroinden-1-amine (PubChem CID 177039812) has the molecular formula C23H33N5 and a molecular weight of 379.55 g/mol. Its IUPAC name is (5Z)-5-[2-[4-(ethylamino)butan-2-yl]-4-piperidin-4-ylidene-1H-imidazol-5-ylidene]-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name(5Z)-5-[2-[4-(ethylamino)butan-2-yl]-4-piperidin-4-ylidene-1H-imidazol-5-ylidene]-2,3-dihydroinden-1-amine
PubChem CID177039812
Molecular FormulaC23H33N5
Molecular Weight379.55 g/mol
Exact Mass379.27
IUPAC Name(5Z)-5-[2-[4-(ethylamino)butan-2-yl]-4-piperidin-4-ylidene-1H-imidazol-5-ylidene]-2,3-dihydroinden-1-amine
SMILESCCNCCC(C)c1nc(=C2CCNCC2)/c(=c2\ccc3c(c2)CCC=3N)[nH]1
InChIInChI=1S/C23H33N5/c1-3-25-11-8-15(2)23-27-21(16-9-12-26-13-10-16)22(28-23)18-4-6-19-17(14-18)5-7-20(19)24/h4,6,14-15,25-26H,3,5,7-13,24H2,1-2H3,(H,27,28)/b22-18-
InChIKeyNYMVEKZAKCLFJU-PYCFMQQDSA-N
XLogP1.35
TPSA78.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-5-[2-[4-(ethylamino)butan-2-yl]-4-piperidin-4-ylidene-1H-imidazol-5-ylidene]-2,3-dihydroinden-1-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-[(4E)-4-(2-nitroso-2,3-dihydroinden-5-ylidene)-2-piperidin-4-yl-1H-imidazol-5-ylidene]-1H-pyridine
CID 171349669
1-[(1Z,5Z,9Z,11Z)-16-ethyl-15-fluoro-10-methyl-5-(methylideneamino)-3-azabicyclo[10.4.0]hexadeca-1,5,9,11,13,15-hexaen-6-yl]-1-(3-methylpiperidin-1-yl)-N-propylmethanimine
CID 167115679
2-piperidin-4-yl-3a,4-dihydro-1H-benzimidazole
CID 70988964
4-[1-(2-Methylprop-2-enyl)-3a,4,7,7a-tetrahydrobenzimidazol-2-yl]cyclohexa-1,5-dien-1-amine
CID 89973201
1,5-Dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole
CID 123789944
3-methyl-1-[4-[[7-[(2-methyl-7H-benzimidazol-4-yl)methyl]-1,4-dihydrobenzimidazol-2-ylidene]amino]piperidin-1-yl]butan-2-amine
CID 136419982
(1E,3Z,7Z)-7-(1-cyclopentyl-5-ethenyl-2-prop-1-en-2-yliminopyrrol-3-ylidene)-2-piperazin-1-ylhepta-1,3-dien-1-amine
CID 139516116
N-[3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]propyl]-5,6-dihydro-3H-isoindol-1-amine
CID 141911172
ethane;(E)-[(5Z)-5-(3-ethylpentan-2-ylidene)-2-(8-methyl-2,9-diazabicyclo[4.3.1]deca-1(9),3,5-trien-5-yl)-6-piperazin-1-ylpyrimidin-4-ylidene]methanamine
CID 144885027
4-heptan-4-yl-2-(C-piperazin-1-yl-N-prop-1-en-2-ylcarbonimidoyl)cyclopenta-1,4-dien-1-amine
CID 166164453
2-(3-methylbutyl)-N-[(3Z)-3-[[(Z,3E)-6-methyl-3-(2-methylpropylidene)oct-4-en-2-ylidene]amino]hexa-1,3,5-trien-2-yl]-7-piperazin-1-yl-2,3-dihydroimidazo[1,2-a]pyridin-6-amine
CID 167066107
butane;(3E)-4-butan-2-yl-N-[(E)-but-1-enyl]-3-(1-piperazin-1-ylethylidene)pyrrol-2-amine;ethane;propane
CID 168184633

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[2-[4-(ethylamino)butan-2-yl]-4-piperidin-4-ylidene-1H-imidazol-5-ylidene]-2,3-dihydroinden-1-amine?
The IUPAC name of (5Z)-5-[2-[4-(ethylamino)butan-2-yl]-4-piperidin-4-ylidene-1H-imidazol-5-ylidene]-2,3-dihydroinden-1-amine (CID 177039812) is (5Z)-5-[2-[4-(ethylamino)butan-2-yl]-4-piperidin-4-ylidene-1H-imidazol-5-ylidene]-2,3-dihydroinden-1-amine.
What is the SMILES notation for (5Z)-5-[2-[4-(ethylamino)butan-2-yl]-4-piperidin-4-ylidene-1H-imidazol-5-ylidene]-2,3-dihydroinden-1-amine?
The canonical SMILES for (5Z)-5-[2-[4-(ethylamino)butan-2-yl]-4-piperidin-4-ylidene-1H-imidazol-5-ylidene]-2,3-dihydroinden-1-amine is CCNCCC(C)c1nc(=C2CCNCC2)/c(=c2\ccc3c(c2)CCC=3N)[nH]1.
What is the InChIKey of (5Z)-5-[2-[4-(ethylamino)butan-2-yl]-4-piperidin-4-ylidene-1H-imidazol-5-ylidene]-2,3-dihydroinden-1-amine?
The InChIKey is NYMVEKZAKCLFJU-PYCFMQQDSA-N. The full InChI is InChI=1S/C23H33N5/c1-3-25-11-8-15(2)23-27-21(16-9-12-26-13-10-16)22(28-23)18-4-6-19-17(14-18)5-7-20(19)24/h4,6,14-15,25-26H,3,5,7-13,24H2,1-2H3,(H,27,28)/b22-18-.
What are the key properties of (5Z)-5-[2-[4-(ethylamino)butan-2-yl]-4-piperidin-4-ylidene-1H-imidazol-5-ylidene]-2,3-dihydroinden-1-amine?
(5Z)-5-[2-[4-(ethylamino)butan-2-yl]-4-piperidin-4-ylidene-1H-imidazol-5-ylidene]-2,3-dihydroinden-1-amine has a molecular weight of 379.55 g/mol, XLogP of 1.35, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[2-[4-(ethylamino)butan-2-yl]-4-piperidin-4-ylidene-1H-imidazol-5-ylidene]-2,3-dihydroinden-1-amine is sourced from PubChem (CID 177039812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).