5-bromo-6-[2-cyclopentyl-1-(ethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one

C16H22BrN3O — CID 62374056

IUPAC5-bromo-6-[2-cyclopentyl-1-(ethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCNC(CC1CCCC1)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C16H22BrN3O/c1-2-18-13(7-10-5-3-4-6-10)11-8-14-15(9-12(11)17)20-16(21)19-14/h8-10,13,18H,2-7H2,1H3,(H2,19,20,21)
InChIKeyXBYXYECHWDWOBY-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.85
Rot. Bonds5

About 5-bromo-6-[2-cyclopentyl-1-(ethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[2-cyclopentyl-1-(ethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 62374056) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 5-bromo-6-[2-cyclopentyl-1-(ethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[2-cyclopentyl-1-(ethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID62374056
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name5-bromo-6-[2-cyclopentyl-1-(ethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCNC(CC1CCCC1)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C16H22BrN3O/c1-2-18-13(7-10-5-3-4-6-10)11-8-14-15(9-12(11)17)20-16(21)19-14/h8-10,13,18H,2-7H2,1H3,(H2,19,20,21)
InChIKeyXBYXYECHWDWOBY-UHFFFAOYSA-N
XLogP3.85
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-(1-bromo-2-cyclobutylethyl)-1,3-dihydrobenzimidazol-2-one
CID 103165874
2-cyclohexyl-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 43489649
1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 115847237
1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine
CID 103162910
1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457634
1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105138866
1-(4-bromo-2,5-difluorophenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457690
2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
CID 43493192
6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 103162895
1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986405
1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine
CID 114457699
2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302742

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[2-cyclopentyl-1-(ethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[2-cyclopentyl-1-(ethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 62374056) is 5-bromo-6-[2-cyclopentyl-1-(ethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[2-cyclopentyl-1-(ethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[2-cyclopentyl-1-(ethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is CCNC(CC1CCCC1)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-bromo-6-[2-cyclopentyl-1-(ethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is XBYXYECHWDWOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-2-18-13(7-10-5-3-4-6-10)11-8-14-15(9-12(11)17)20-16(21)19-14/h8-10,13,18H,2-7H2,1H3,(H2,19,20,21).
What are the key properties of 5-bromo-6-[2-cyclopentyl-1-(ethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[2-cyclopentyl-1-(ethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 352.28 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[2-cyclopentyl-1-(ethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62374056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).