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

C21H24N4O2 — CID 46287181

IUPAC1-(oxolan-2-ylmethyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
SMILESO=C(NCCn1c(-c2ccccc2)nc2ccccc21)NCC1CCCO1
InChIInChI=1S/C21H24N4O2/c26-21(23-15-17-9-6-14-27-17)22-12-13-25-19-11-5-4-10-18(19)24-20(25)16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H2,22,23,26)
InChIKeyIJPOIKOBFPEZFA-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.18
Rot. Bonds6

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

1-(oxolan-2-ylmethyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea (PubChem CID 46287181) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
PubChem CID46287181
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-(oxolan-2-ylmethyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
SMILESO=C(NCCn1c(-c2ccccc2)nc2ccccc21)NCC1CCCO1
InChIInChI=1S/C21H24N4O2/c26-21(23-15-17-9-6-14-27-17)22-12-13-25-19-11-5-4-10-18(19)24-20(25)16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H2,22,23,26)
InChIKeyIJPOIKOBFPEZFA-UHFFFAOYSA-N
XLogP3.18
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111137509
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 17033154
1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
CID 46287171
2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111138008
1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 97352945
N,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111651653
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063067
N-[[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029337
N-[[(2S)-oxolan-2-yl]methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide
CID 8850288
1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812547
1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea
CID 46286966
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111139817

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea (CID 46287181) is 1-(oxolan-2-ylmethyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea is O=C(NCCn1c(-c2ccccc2)nc2ccccc21)NCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea?
The InChIKey is IJPOIKOBFPEZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-21(23-15-17-9-6-14-27-17)22-12-13-25-19-11-5-4-10-18(19)24-20(25)16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H2,22,23,26).
What are the key properties of 1-(oxolan-2-ylmethyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea?
1-(oxolan-2-ylmethyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea has a molecular weight of 364.45 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea is sourced from PubChem (CID 46287181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).