1-(benzimidazol-1-yl)-3-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]urea

C20H18N4O2 — CID 95188947

IUPAC1-(benzimidazol-1-yl)-3-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]urea
SMILESO=C(NC[C@@H](O)c1ccc2ccccc2c1)Nn1cnc2ccccc21
InChIInChI=1S/C20H18N4O2/c25-19(16-10-9-14-5-1-2-6-15(14)11-16)12-21-20(26)23-24-13-22-17-7-3-4-8-18(17)24/h1-11,13,19,25H,12H2,(H2,21,23,26)/t19-/m1/s1
InChIKeyORTDLANEBVTXTB-LJQANCHMSA-N
MW346.39 g/mol
LogP3.18
Rot. Bonds4

About 1-(benzimidazol-1-yl)-3-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]urea

1-(benzimidazol-1-yl)-3-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]urea (PubChem CID 95188947) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]urea.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]urea
PubChem CID95188947
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name1-(benzimidazol-1-yl)-3-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]urea
SMILESO=C(NC[C@@H](O)c1ccc2ccccc2c1)Nn1cnc2ccccc21
InChIInChI=1S/C20H18N4O2/c25-19(16-10-9-14-5-1-2-6-15(14)11-16)12-21-20(26)23-24-13-22-17-7-3-4-8-18(17)24/h1-11,13,19,25H,12H2,(H2,21,23,26)/t19-/m1/s1
InChIKeyORTDLANEBVTXTB-LJQANCHMSA-N
XLogP3.18
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 111111377
1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111298
1-(benzimidazol-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111478766
1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111338
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
N-(benzimidazol-1-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 34334460
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(1-propylpyrazol-4-yl)urea
CID 111475603
N-(2-hydroxy-2-naphthalen-2-ylethyl)quinoline-5-carboxamide
CID 111112184
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 95189244
1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 95189163
benzimidazol-1-ylcarbamic acid
CID 21218422
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111481795

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]urea?
The IUPAC name of 1-(benzimidazol-1-yl)-3-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]urea (CID 95188947) is 1-(benzimidazol-1-yl)-3-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]urea.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]urea?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]urea is O=C(NC[C@@H](O)c1ccc2ccccc2c1)Nn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]urea?
The InChIKey is ORTDLANEBVTXTB-LJQANCHMSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-19(16-10-9-14-5-1-2-6-15(14)11-16)12-21-20(26)23-24-13-22-17-7-3-4-8-18(17)24/h1-11,13,19,25H,12H2,(H2,21,23,26)/t19-/m1/s1.
What are the key properties of 1-(benzimidazol-1-yl)-3-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]urea?
1-(benzimidazol-1-yl)-3-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]urea has a molecular weight of 346.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]urea is sourced from PubChem (CID 95188947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).