4-(2-chlorophenyl)-3-(3-imidazol-1-ylpropyl)-5-[2-(1H-indol-3-yl)ethylamino]-1H-imidazol-2-one

C25H25ClN6O — CID 90793593

IUPAC4-(2-chlorophenyl)-3-(3-imidazol-1-ylpropyl)-5-[2-(1H-indol-3-yl)ethylamino]-1H-imidazol-2-one
SMILESO=c1[nH]c(NCCc2c[nH]c3ccccc23)c(-c2ccccc2Cl)n1CCCn1ccnc1
InChIInChI=1S/C25H25ClN6O/c26-21-8-3-1-7-20(21)23-24(28-11-10-18-16-29-22-9-4-2-6-19(18)22)30-25(33)32(23)14-5-13-31-15-12-27-17-31/h1-4,6-9,12,15-17,28-29H,5,10-11,13-14H2,(H,30,33)
InChIKeyXMKPKCRSMHDMCC-UHFFFAOYSA-N
MW460.97 g/mol
LogP4.92
Rot. Bonds9

About 4-(2-chlorophenyl)-3-(3-imidazol-1-ylpropyl)-5-[2-(1H-indol-3-yl)ethylamino]-1H-imidazol-2-one

4-(2-chlorophenyl)-3-(3-imidazol-1-ylpropyl)-5-[2-(1H-indol-3-yl)ethylamino]-1H-imidazol-2-one (PubChem CID 90793593) has the molecular formula C25H25ClN6O and a molecular weight of 460.97 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-(3-imidazol-1-ylpropyl)-5-[2-(1H-indol-3-yl)ethylamino]-1H-imidazol-2-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-(3-imidazol-1-ylpropyl)-5-[2-(1H-indol-3-yl)ethylamino]-1H-imidazol-2-one
PubChem CID90793593
Molecular FormulaC25H25ClN6O
Molecular Weight460.97 g/mol
Exact Mass460.18
IUPAC Name4-(2-chlorophenyl)-3-(3-imidazol-1-ylpropyl)-5-[2-(1H-indol-3-yl)ethylamino]-1H-imidazol-2-one
SMILESO=c1[nH]c(NCCc2c[nH]c3ccccc23)c(-c2ccccc2Cl)n1CCCn1ccnc1
InChIInChI=1S/C25H25ClN6O/c26-21-8-3-1-7-20(21)23-24(28-11-10-18-16-29-22-9-4-2-6-19(18)22)30-25(33)32(23)14-5-13-31-15-12-27-17-31/h1-4,6-9,12,15-17,28-29H,5,10-11,13-14H2,(H,30,33)
InChIKeyXMKPKCRSMHDMCC-UHFFFAOYSA-N
XLogP4.92
TPSA83.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Liarozole
CID 60652
4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide
CID 16129582
3-Imidazol-1-ylmethyl-1H-indole
CID 792486
Liarozole hydrochloride
CID 71454
UK 34787
CID 194468
Benzyl-[(3R,5R)-5-(5-imidazol-1-yl-1H-indol-3-ylmethyl)-1-methyl-pyrrolidin-3-ylmethyl]-methyl-amine
CID 15521385
Ac-His-DPhe(pCl)-Arg-Trp-NH2
CID 25108215
Ac-Nle-Asp(1)-His-D-Phe(4-Cl)-Arg-D-Trp-D-Lys(1)-NH2
CID 44343363
3-[[5-[(3-chlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-6-fluoro-1H-indole
CID 168272497
3-[[5-[(3-chlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168288485
(1H-Indol-3-ylmethyl)-(1-methyl-1H-benzoimidazol-2-yl)-amine
CID 652872
1-(3,4-dichlorophenyl)-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene]urea
CID 2030568

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-3-(3-imidazol-1-ylpropyl)-5-[2-(1H-indol-3-yl)ethylamino]-1H-imidazol-2-one?
The IUPAC name of 4-(2-chlorophenyl)-3-(3-imidazol-1-ylpropyl)-5-[2-(1H-indol-3-yl)ethylamino]-1H-imidazol-2-one (CID 90793593) is 4-(2-chlorophenyl)-3-(3-imidazol-1-ylpropyl)-5-[2-(1H-indol-3-yl)ethylamino]-1H-imidazol-2-one.
What is the SMILES notation for 4-(2-chlorophenyl)-3-(3-imidazol-1-ylpropyl)-5-[2-(1H-indol-3-yl)ethylamino]-1H-imidazol-2-one?
The canonical SMILES for 4-(2-chlorophenyl)-3-(3-imidazol-1-ylpropyl)-5-[2-(1H-indol-3-yl)ethylamino]-1H-imidazol-2-one is O=c1[nH]c(NCCc2c[nH]c3ccccc23)c(-c2ccccc2Cl)n1CCCn1ccnc1.
What is the InChIKey of 4-(2-chlorophenyl)-3-(3-imidazol-1-ylpropyl)-5-[2-(1H-indol-3-yl)ethylamino]-1H-imidazol-2-one?
The InChIKey is XMKPKCRSMHDMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O/c26-21-8-3-1-7-20(21)23-24(28-11-10-18-16-29-22-9-4-2-6-19(18)22)30-25(33)32(23)14-5-13-31-15-12-27-17-31/h1-4,6-9,12,15-17,28-29H,5,10-11,13-14H2,(H,30,33).
What are the key properties of 4-(2-chlorophenyl)-3-(3-imidazol-1-ylpropyl)-5-[2-(1H-indol-3-yl)ethylamino]-1H-imidazol-2-one?
4-(2-chlorophenyl)-3-(3-imidazol-1-ylpropyl)-5-[2-(1H-indol-3-yl)ethylamino]-1H-imidazol-2-one has a molecular weight of 460.97 g/mol, XLogP of 4.92, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-(3-imidazol-1-ylpropyl)-5-[2-(1H-indol-3-yl)ethylamino]-1H-imidazol-2-one is sourced from PubChem (CID 90793593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).