3-[2-(benzimidazol-1-yl)ethyl]-1-benzyl-1-(oxolan-2-ylmethyl)urea

C22H26N4O2 — CID 139000215

IUPAC3-[2-(benzimidazol-1-yl)ethyl]-1-benzyl-1-(oxolan-2-ylmethyl)urea
SMILESO=C(NCCn1cnc2ccccc21)N(Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C22H26N4O2/c27-22(23-12-13-25-17-24-20-10-4-5-11-21(20)25)26(16-19-9-6-14-28-19)15-18-7-2-1-3-8-18/h1-5,7-8,10-11,17,19H,6,9,12-16H2,(H,23,27)
InChIKeyRKEZIEJXHZZTFE-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.43
Rot. Bonds7

About 3-[2-(benzimidazol-1-yl)ethyl]-1-benzyl-1-(oxolan-2-ylmethyl)urea

3-[2-(benzimidazol-1-yl)ethyl]-1-benzyl-1-(oxolan-2-ylmethyl)urea (PubChem CID 139000215) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-[2-(benzimidazol-1-yl)ethyl]-1-benzyl-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[2-(benzimidazol-1-yl)ethyl]-1-benzyl-1-(oxolan-2-ylmethyl)urea
PubChem CID139000215
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-[2-(benzimidazol-1-yl)ethyl]-1-benzyl-1-(oxolan-2-ylmethyl)urea
SMILESO=C(NCCn1cnc2ccccc21)N(Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C22H26N4O2/c27-22(23-12-13-25-17-24-20-10-4-5-11-21(20)25)26(16-19-9-6-14-28-19)15-18-7-2-1-3-8-18/h1-5,7-8,10-11,17,19H,6,9,12-16H2,(H,23,27)
InChIKeyRKEZIEJXHZZTFE-UHFFFAOYSA-N
XLogP3.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
1-benzyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94503654
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 52514252
1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea
CID 47070305
1-benzyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94503656
1-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 94594071
3-[3-(benzimidazol-1-yl)propyl]-1-(cyclobutylmethyl)-1-methylurea
CID 56787596
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129467722
3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95050157
5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 42197287
1-[(2-methylphenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea
CID 126441875

Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzimidazol-1-yl)ethyl]-1-benzyl-1-(oxolan-2-ylmethyl)urea?
The IUPAC name of 3-[2-(benzimidazol-1-yl)ethyl]-1-benzyl-1-(oxolan-2-ylmethyl)urea (CID 139000215) is 3-[2-(benzimidazol-1-yl)ethyl]-1-benzyl-1-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 3-[2-(benzimidazol-1-yl)ethyl]-1-benzyl-1-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 3-[2-(benzimidazol-1-yl)ethyl]-1-benzyl-1-(oxolan-2-ylmethyl)urea is O=C(NCCn1cnc2ccccc21)N(Cc1ccccc1)CC1CCCO1.
What is the InChIKey of 3-[2-(benzimidazol-1-yl)ethyl]-1-benzyl-1-(oxolan-2-ylmethyl)urea?
The InChIKey is RKEZIEJXHZZTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-22(23-12-13-25-17-24-20-10-4-5-11-21(20)25)26(16-19-9-6-14-28-19)15-18-7-2-1-3-8-18/h1-5,7-8,10-11,17,19H,6,9,12-16H2,(H,23,27).
What are the key properties of 3-[2-(benzimidazol-1-yl)ethyl]-1-benzyl-1-(oxolan-2-ylmethyl)urea?
3-[2-(benzimidazol-1-yl)ethyl]-1-benzyl-1-(oxolan-2-ylmethyl)urea has a molecular weight of 378.48 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzimidazol-1-yl)ethyl]-1-benzyl-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 139000215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).