N-(3-imidazol-1-ylpropyl)-9H-xanthene-9-carboxamide;hydrochloride

C20H20ClN3O2 — CID 6603203

IUPACN-(3-imidazol-1-ylpropyl)-9H-xanthene-9-carboxamide;hydrochloride
SMILESCl.O=C(NCCCn1ccnc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H19N3O2.ClH/c24-20(22-10-5-12-23-13-11-21-14-23)19-15-6-1-3-8-17(15)25-18-9-4-2-7-16(18)19;/h1-4,6-9,11,13-14,19H,5,10,12H2,(H,22,24);1H
InChIKeyZKVWMISJYVBBFL-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.75
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-9H-xanthene-9-carboxamide;hydrochloride

N-(3-imidazol-1-ylpropyl)-9H-xanthene-9-carboxamide;hydrochloride (PubChem CID 6603203) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-9H-xanthene-9-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-9H-xanthene-9-carboxamide;hydrochloride
PubChem CID6603203
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-(3-imidazol-1-ylpropyl)-9H-xanthene-9-carboxamide;hydrochloride
SMILESCl.O=C(NCCCn1ccnc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H19N3O2.ClH/c24-20(22-10-5-12-23-13-11-21-14-23)19-15-6-1-3-8-17(15)25-18-9-4-2-7-16(18)19;/h1-4,6-9,11,13-14,19H,5,10,12H2,(H,22,24);1H
InChIKeyZKVWMISJYVBBFL-UHFFFAOYSA-N
XLogP3.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-9H-xanthene-9-carboxamide;hydrochloride 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-(5-acetyl-2-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 9360204
4-((1H-imidazol-1-yl)methyl)-2-(3-(2-oxoazepan-3-yl)phenoxy)benzonitrile
CID 11111827
2H-1-Benzopyran-2-one, 4-(1H-imidazol-1-ylmethyl)-3-phenyl-
CID 11426612
(E)-N-[3-(1H-imidazol-1-yl)propyl]-3-(2-methoxyphenyl)-2-phenyl-2-propenamide
CID 6078143
4-(2-methylimidazol-1-yl)-2-(9H-xanthen-9-yl)butanamide
CID 44308651
N-2-pyrazinyl-9H-xanthene-9-carboxamide
CID 1246885
N-[3-(1H-imidazol-1-yl)propyl]-9H-xanthene-9-carboxamide
CID 663663
(2-Imidazol-1-yl-ethyl)-xanthen-9-yl-amine
CID 21549470
2-(p-Ethoxyphenyl)-1-[4-(1-ethyl-2-imidazolyl)-1-piperazinyl]-1-ethanone
CID 25284931
2-(4-Ethoxyphenyl)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 25848953
1-[(2-ethoxyphenyl)acetyl]-3-(1H-imidazol-2-yl)piperidine
CID 70757337
N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]chromane-3-carboxamide
CID 72912790

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-9H-xanthene-9-carboxamide;hydrochloride?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-9H-xanthene-9-carboxamide;hydrochloride (CID 6603203) is N-(3-imidazol-1-ylpropyl)-9H-xanthene-9-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-9H-xanthene-9-carboxamide;hydrochloride?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-9H-xanthene-9-carboxamide;hydrochloride is Cl.O=C(NCCCn1ccnc1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-9H-xanthene-9-carboxamide;hydrochloride?
The InChIKey is ZKVWMISJYVBBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2.ClH/c24-20(22-10-5-12-23-13-11-21-14-23)19-15-6-1-3-8-17(15)25-18-9-4-2-7-16(18)19;/h1-4,6-9,11,13-14,19H,5,10,12H2,(H,22,24);1H.
What are the key properties of N-(3-imidazol-1-ylpropyl)-9H-xanthene-9-carboxamide;hydrochloride?
N-(3-imidazol-1-ylpropyl)-9H-xanthene-9-carboxamide;hydrochloride has a molecular weight of 369.85 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-9H-xanthene-9-carboxamide;hydrochloride is sourced from PubChem (CID 6603203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).