1-[2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]acetyl]imidazolidin-2-one

C19H23N5O3 — CID 47087718

IUPAC1-[2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]acetyl]imidazolidin-2-one
SMILESO=C(c1c[nH]c2ccccc12)N1CCCN(CC(=O)N2CCNC2=O)CC1
InChIInChI=1S/C19H23N5O3/c25-17(24-9-6-20-19(24)27)13-22-7-3-8-23(11-10-22)18(26)15-12-21-16-5-2-1-4-14(15)16/h1-2,4-5,12,21H,3,6-11,13H2,(H,20,27)
InChIKeyIAJUAMSLNOGFTD-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.87
Rot. Bonds3

About 1-[2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]acetyl]imidazolidin-2-one

1-[2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]acetyl]imidazolidin-2-one (PubChem CID 47087718) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-[2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]acetyl]imidazolidin-2-one
PubChem CID47087718
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name1-[2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]acetyl]imidazolidin-2-one
SMILESO=C(c1c[nH]c2ccccc12)N1CCCN(CC(=O)N2CCNC2=O)CC1
InChIInChI=1S/C19H23N5O3/c25-17(24-9-6-20-19(24)27)13-22-7-3-8-23(11-10-22)18(26)15-12-21-16-5-2-1-4-14(15)16/h1-2,4-5,12,21H,3,6-11,13H2,(H,20,27)
InChIKeyIAJUAMSLNOGFTD-UHFFFAOYSA-N
XLogP0.87
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]acetyl]imidazolidin-2-one 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-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone
CID 137340536
1-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]pentan-1-one
CID 49206011
cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 49206253
1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 86188477
2-[4-(2-bromobenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659733
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803979
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816742
8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione
CID 58509565
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 17407477
5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-5-oxopentanoic acid
CID 29132484
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]acetyl]imidazolidin-2-one (CID 47087718) is 1-[2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]acetyl]imidazolidin-2-one is O=C(c1c[nH]c2ccccc12)N1CCCN(CC(=O)N2CCNC2=O)CC1.
What is the InChIKey of 1-[2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]acetyl]imidazolidin-2-one?
The InChIKey is IAJUAMSLNOGFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-17(24-9-6-20-19(24)27)13-22-7-3-8-23(11-10-22)18(26)15-12-21-16-5-2-1-4-14(15)16/h1-2,4-5,12,21H,3,6-11,13H2,(H,20,27).
What are the key properties of 1-[2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]acetyl]imidazolidin-2-one?
1-[2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]acetyl]imidazolidin-2-one has a molecular weight of 369.43 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 47087718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).