1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea

C16H22N4O2 — CID 94799266

IUPAC1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
SMILESC[C@@H](NC(=O)NC1CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H22N4O2/c1-10(17-15(21)18-12-5-3-2-4-6-12)11-7-8-13-14(9-11)20-16(22)19-13/h7-10,12H,2-6H2,1H3,(H2,17,18,21)(H2,19,20,22)/t10-/m1/s1
InChIKeyUVZZIFLTNHWRIK-SNVBAGLBSA-N
MW302.38 g/mol
LogP2.55
Rot. Bonds3

About 1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea

1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea (PubChem CID 94799266) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
PubChem CID94799266
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
SMILESC[C@@H](NC(=O)NC1CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H22N4O2/c1-10(17-15(21)18-12-5-3-2-4-6-12)11-7-8-13-14(9-11)20-16(22)19-13/h7-10,12H,2-6H2,1H3,(H2,17,18,21)(H2,19,20,22)/t10-/m1/s1
InChIKeyUVZZIFLTNHWRIK-SNVBAGLBSA-N
XLogP2.55
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
CID 47322191
1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea
CID 29026952
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea
CID 6466690
2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid
CID 82502145
2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 64822344
5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 167769505
5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43370774
5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 83229540
1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 47010316
5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 65023133

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea (CID 94799266) is 1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea is C[C@@H](NC(=O)NC1CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea?
The InChIKey is UVZZIFLTNHWRIK-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10(17-15(21)18-12-5-3-2-4-6-12)11-7-8-13-14(9-11)20-16(22)19-13/h7-10,12H,2-6H2,1H3,(H2,17,18,21)(H2,19,20,22)/t10-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea?
1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea has a molecular weight of 302.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea is sourced from PubChem (CID 94799266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).