N-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]-1H-imidazole-5-carboxamide

C19H21N3O2 — CID 70203096

IUPACN-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]-1H-imidazole-5-carboxamide
SMILESC[C@H](O)[C@@H](CCc1cccc2ccccc12)NC(=O)c1cnc[nH]1
InChIInChI=1S/C19H21N3O2/c1-13(23)17(22-19(24)18-11-20-12-21-18)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,17,23H,9-10H2,1H3,(H,20,21)(H,22,24)/t13-,17+/m0/s1
InChIKeyFJYIWGYFCITGAT-SUMWQHHRSA-N
MW323.40 g/mol
LogP2.67
Rot. Bonds6

About N-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]-1H-imidazole-5-carboxamide

N-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]-1H-imidazole-5-carboxamide (PubChem CID 70203096) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]-1H-imidazole-5-carboxamide
PubChem CID70203096
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]-1H-imidazole-5-carboxamide
SMILESC[C@H](O)[C@@H](CCc1cccc2ccccc12)NC(=O)c1cnc[nH]1
InChIInChI=1S/C19H21N3O2/c1-13(23)17(22-19(24)18-11-20-12-21-18)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,17,23H,9-10H2,1H3,(H,20,21)(H,22,24)/t13-,17+/m0/s1
InChIKeyFJYIWGYFCITGAT-SUMWQHHRSA-N
XLogP2.67
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]-1H-imidazole-5-carboxamide 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 N-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]-1H-imidazole-5-carboxamide (CID 70203096) is N-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]-1H-imidazole-5-carboxamide is C[C@H](O)[C@@H](CCc1cccc2ccccc12)NC(=O)c1cnc[nH]1.
What is the InChIKey of N-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]-1H-imidazole-5-carboxamide?
The InChIKey is FJYIWGYFCITGAT-SUMWQHHRSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(23)17(22-19(24)18-11-20-12-21-18)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,17,23H,9-10H2,1H3,(H,20,21)(H,22,24)/t13-,17+/m0/s1.
What are the key properties of N-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]-1H-imidazole-5-carboxamide?
N-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]-1H-imidazole-5-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 70203096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).