1-[4-[(4-hydroxyimidazol-1-yl)methyl]phenyl]-3-naphthalen-1-ylurea

C21H18N4O2 — CID 91185523

IUPAC1-[4-[(4-hydroxyimidazol-1-yl)methyl]phenyl]-3-naphthalen-1-ylurea
SMILESO=C(Nc1ccc(Cn2cnc(O)c2)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C21H18N4O2/c26-20-13-25(14-22-20)12-15-8-10-17(11-9-15)23-21(27)24-19-7-3-5-16-4-1-2-6-18(16)19/h1-11,13-14,26H,12H2,(H2,23,24,27)
InChIKeyUEZADNGATFAIBL-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.43
Rot. Bonds4

About 1-[4-[(4-hydroxyimidazol-1-yl)methyl]phenyl]-3-naphthalen-1-ylurea

1-[4-[(4-hydroxyimidazol-1-yl)methyl]phenyl]-3-naphthalen-1-ylurea (PubChem CID 91185523) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[4-[(4-hydroxyimidazol-1-yl)methyl]phenyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[4-[(4-hydroxyimidazol-1-yl)methyl]phenyl]-3-naphthalen-1-ylurea
PubChem CID91185523
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name1-[4-[(4-hydroxyimidazol-1-yl)methyl]phenyl]-3-naphthalen-1-ylurea
SMILESO=C(Nc1ccc(Cn2cnc(O)c2)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C21H18N4O2/c26-20-13-25(14-22-20)12-15-8-10-17(11-9-15)23-21(27)24-19-7-3-5-16-4-1-2-6-18(16)19/h1-11,13-14,26H,12H2,(H2,23,24,27)
InChIKeyUEZADNGATFAIBL-UHFFFAOYSA-N
XLogP4.43
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(4-hydroxyimidazol-1-yl)methyl]phenyl]-3-naphthalen-1-ylurea 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-[4-[(4-hydroxyimidazol-1-yl)methyl]phenyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[4-[(4-hydroxyimidazol-1-yl)methyl]phenyl]-3-naphthalen-1-ylurea (CID 91185523) is 1-[4-[(4-hydroxyimidazol-1-yl)methyl]phenyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[4-[(4-hydroxyimidazol-1-yl)methyl]phenyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[4-[(4-hydroxyimidazol-1-yl)methyl]phenyl]-3-naphthalen-1-ylurea is O=C(Nc1ccc(Cn2cnc(O)c2)cc1)Nc1cccc2ccccc12.
What is the InChIKey of 1-[4-[(4-hydroxyimidazol-1-yl)methyl]phenyl]-3-naphthalen-1-ylurea?
The InChIKey is UEZADNGATFAIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-20-13-25(14-22-20)12-15-8-10-17(11-9-15)23-21(27)24-19-7-3-5-16-4-1-2-6-18(16)19/h1-11,13-14,26H,12H2,(H2,23,24,27).
What are the key properties of 1-[4-[(4-hydroxyimidazol-1-yl)methyl]phenyl]-3-naphthalen-1-ylurea?
1-[4-[(4-hydroxyimidazol-1-yl)methyl]phenyl]-3-naphthalen-1-ylurea has a molecular weight of 358.40 g/mol, XLogP of 4.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-hydroxyimidazol-1-yl)methyl]phenyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 91185523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).