5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one

C21H31N3O2 — CID 167769505

IUPAC5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NC1CCC(OC2CCCCC2)CC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C21H31N3O2/c1-14(15-7-12-19-20(13-15)24-21(25)23-19)22-16-8-10-18(11-9-16)26-17-5-3-2-4-6-17/h7,12-14,16-18,22H,2-6,8-11H2,1H3,(H2,23,24,25)
InChIKeyLMYJMHVBXXYTSE-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.17
Rot. Bonds5

About 5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 167769505) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID167769505
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NC1CCC(OC2CCCCC2)CC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C21H31N3O2/c1-14(15-7-12-19-20(13-15)24-21(25)23-19)22-16-8-10-18(11-9-16)26-17-5-3-2-4-6-17/h7,12-14,16-18,22H,2-6,8-11H2,1H3,(H2,23,24,25)
InChIKeyLMYJMHVBXXYTSE-UHFFFAOYSA-N
XLogP4.17
TPSA69.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one with MolForge

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Related Compounds

5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43370774
5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 83229540
5-[1-(oxepan-4-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 65081705
1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 94799266
5-[1-[(1-methyl-6-oxopiperidin-3-yl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 64656122
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61087315
5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 65023133
2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid
CID 82502145
5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
CID 83153990
5-[1-(1-azabicyclo[2.2.2]octan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43201388
5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483595

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one (CID 167769505) is 5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one is CC(NC1CCC(OC2CCCCC2)CC1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is LMYJMHVBXXYTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-14(15-7-12-19-20(13-15)24-21(25)23-19)22-16-8-10-18(11-9-16)26-17-5-3-2-4-6-17/h7,12-14,16-18,22H,2-6,8-11H2,1H3,(H2,23,24,25).
What are the key properties of 5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 357.50 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 167769505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).