1-[(3R,4S)-4-hydroxy-1-naphthalen-2-yloxypentan-3-yl]imidazole-4-carboxamide;hydrochloride

C19H22ClN3O3 — CID 45261072

IUPAC1-[(3R,4S)-4-hydroxy-1-naphthalen-2-yloxypentan-3-yl]imidazole-4-carboxamide;hydrochloride
SMILESC[C@H](O)[C@@H](CCOc1ccc2ccccc2c1)n1cnc(C(N)=O)c1.Cl
InChIInChI=1S/C19H21N3O3.ClH/c1-13(23)18(22-11-17(19(20)24)21-12-22)8-9-25-16-7-6-14-4-2-3-5-15(14)10-16;/h2-7,10-13,18,23H,8-9H2,1H3,(H2,20,24);1H/t13-,18+;/m0./s1
InChIKeyLQOXYLDZFWYULO-UFRBEDTPSA-N
MW375.86 g/mol
LogP2.95
Rot. Bonds7

About 1-[(3R,4S)-4-hydroxy-1-naphthalen-2-yloxypentan-3-yl]imidazole-4-carboxamide;hydrochloride

1-[(3R,4S)-4-hydroxy-1-naphthalen-2-yloxypentan-3-yl]imidazole-4-carboxamide;hydrochloride (PubChem CID 45261072) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 1-[(3R,4S)-4-hydroxy-1-naphthalen-2-yloxypentan-3-yl]imidazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(3R,4S)-4-hydroxy-1-naphthalen-2-yloxypentan-3-yl]imidazole-4-carboxamide;hydrochloride
PubChem CID45261072
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name1-[(3R,4S)-4-hydroxy-1-naphthalen-2-yloxypentan-3-yl]imidazole-4-carboxamide;hydrochloride
SMILESC[C@H](O)[C@@H](CCOc1ccc2ccccc2c1)n1cnc(C(N)=O)c1.Cl
InChIInChI=1S/C19H21N3O3.ClH/c1-13(23)18(22-11-17(19(20)24)21-12-22)8-9-25-16-7-6-14-4-2-3-5-15(14)10-16;/h2-7,10-13,18,23H,8-9H2,1H3,(H2,20,24);1H/t13-,18+;/m0./s1
InChIKeyLQOXYLDZFWYULO-UFRBEDTPSA-N
XLogP2.95
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3R,4S)-4-hydroxy-1-naphthalen-2-yloxypentan-3-yl]imidazole-4-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

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-4-hydroxy-1-naphthalen-2-yloxypentan-3-yl]imidazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-[(3R,4S)-4-hydroxy-1-naphthalen-2-yloxypentan-3-yl]imidazole-4-carboxamide;hydrochloride (CID 45261072) is 1-[(3R,4S)-4-hydroxy-1-naphthalen-2-yloxypentan-3-yl]imidazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(3R,4S)-4-hydroxy-1-naphthalen-2-yloxypentan-3-yl]imidazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[(3R,4S)-4-hydroxy-1-naphthalen-2-yloxypentan-3-yl]imidazole-4-carboxamide;hydrochloride is C[C@H](O)[C@@H](CCOc1ccc2ccccc2c1)n1cnc(C(N)=O)c1.Cl.
What is the InChIKey of 1-[(3R,4S)-4-hydroxy-1-naphthalen-2-yloxypentan-3-yl]imidazole-4-carboxamide;hydrochloride?
The InChIKey is LQOXYLDZFWYULO-UFRBEDTPSA-N. The full InChI is InChI=1S/C19H21N3O3.ClH/c1-13(23)18(22-11-17(19(20)24)21-12-22)8-9-25-16-7-6-14-4-2-3-5-15(14)10-16;/h2-7,10-13,18,23H,8-9H2,1H3,(H2,20,24);1H/t13-,18+;/m0./s1.
What are the key properties of 1-[(3R,4S)-4-hydroxy-1-naphthalen-2-yloxypentan-3-yl]imidazole-4-carboxamide;hydrochloride?
1-[(3R,4S)-4-hydroxy-1-naphthalen-2-yloxypentan-3-yl]imidazole-4-carboxamide;hydrochloride has a molecular weight of 375.86 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-4-hydroxy-1-naphthalen-2-yloxypentan-3-yl]imidazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 45261072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).