5-bromo-6-[1-(methylamino)-3-(oxolan-2-yl)propyl]-1,3-dihydrobenzimidazol-2-one

C15H20BrN3O2 — CID 65156399

IUPAC5-bromo-6-[1-(methylamino)-3-(oxolan-2-yl)propyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(CCC1CCCO1)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C15H20BrN3O2/c1-17-12(5-4-9-3-2-6-21-9)10-7-13-14(8-11(10)16)19-15(20)18-13/h7-9,12,17H,2-6H2,1H3,(H2,18,19,20)
InChIKeyABYIMEKFUFSHOL-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.84
Rot. Bonds5

About 5-bromo-6-[1-(methylamino)-3-(oxolan-2-yl)propyl]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[1-(methylamino)-3-(oxolan-2-yl)propyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 65156399) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 5-bromo-6-[1-(methylamino)-3-(oxolan-2-yl)propyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[1-(methylamino)-3-(oxolan-2-yl)propyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID65156399
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name5-bromo-6-[1-(methylamino)-3-(oxolan-2-yl)propyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(CCC1CCCO1)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C15H20BrN3O2/c1-17-12(5-4-9-3-2-6-21-9)10-7-13-14(8-11(10)16)19-15(20)18-13/h7-9,12,17H,2-6H2,1H3,(H2,18,19,20)
InChIKeyABYIMEKFUFSHOL-UHFFFAOYSA-N
XLogP2.84
TPSA69.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156118
5-bromo-6-[1-chloro-2-(oxolan-2-yl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 65157636
1-(2-bromo-4-methoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156141
1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 105056695
1-(2,5-dimethylthiophen-3-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156219
1-(3-bromo-4-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 104993732
1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65154712
1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 115861332
1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 114024223
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 103394522
1-(2,5-dibromo-4-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 81473748
5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydrobenzimidazol-2-one
CID 65158100

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[1-(methylamino)-3-(oxolan-2-yl)propyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[1-(methylamino)-3-(oxolan-2-yl)propyl]-1,3-dihydrobenzimidazol-2-one (CID 65156399) is 5-bromo-6-[1-(methylamino)-3-(oxolan-2-yl)propyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[1-(methylamino)-3-(oxolan-2-yl)propyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[1-(methylamino)-3-(oxolan-2-yl)propyl]-1,3-dihydrobenzimidazol-2-one is CNC(CCC1CCCO1)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-bromo-6-[1-(methylamino)-3-(oxolan-2-yl)propyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ABYIMEKFUFSHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-17-12(5-4-9-3-2-6-21-9)10-7-13-14(8-11(10)16)19-15(20)18-13/h7-9,12,17H,2-6H2,1H3,(H2,18,19,20).
What are the key properties of 5-bromo-6-[1-(methylamino)-3-(oxolan-2-yl)propyl]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[1-(methylamino)-3-(oxolan-2-yl)propyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 354.25 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[1-(methylamino)-3-(oxolan-2-yl)propyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 65156399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).