[4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone

C19H23N5O — CID 137340536

IUPAC[4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCCN(CCn2ccnc2)CC1
InChIInChI=1S/C19H23N5O/c25-19(17-14-21-18-5-2-1-4-16(17)18)24-8-3-7-22(12-13-24)10-11-23-9-6-20-15-23/h1-2,4-6,9,14-15,21H,3,7-8,10-13H2
InChIKeySYUWULRDLKFZAQ-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.21
Rot. Bonds4

About [4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone

[4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone (PubChem CID 137340536) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is [4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone
PubChem CID137340536
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name[4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCCN(CCn2ccnc2)CC1
InChIInChI=1S/C19H23N5O/c25-19(17-14-21-18-5-2-1-4-16(17)18)24-8-3-7-22(12-13-24)10-11-23-9-6-20-15-23/h1-2,4-6,9,14-15,21H,3,7-8,10-13H2
InChIKeySYUWULRDLKFZAQ-UHFFFAOYSA-N
XLogP2.21
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone 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

(2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 90533244
1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 86188477
1-[2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]acetyl]imidazolidin-2-one
CID 47087718
[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone
CID 90539554
cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 49206253
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71788592
3H-benzimidazol-5-yl-[4-(3-imidazol-1-ylpropyl)-1,4-diazepan-1-yl]methanone
CID 137342171
1-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]pentan-1-one
CID 49206011
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 90533226
N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride
CID 169442420
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816742

Frequently Asked Questions

What is the IUPAC name of [4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone?
The IUPAC name of [4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone (CID 137340536) is [4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone is O=C(c1c[nH]c2ccccc12)N1CCCN(CCn2ccnc2)CC1.
What is the InChIKey of [4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone?
The InChIKey is SYUWULRDLKFZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c25-19(17-14-21-18-5-2-1-4-16(17)18)24-8-3-7-22(12-13-24)10-11-23-9-6-20-15-23/h1-2,4-6,9,14-15,21H,3,7-8,10-13H2.
What are the key properties of [4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone?
[4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone has a molecular weight of 337.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 137340536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).