1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol

C19H22BrN3O — CID 3123768

IUPAC1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol
SMILES[H]/N=c1\n(CCCC)c2ccccc2n1CC(O)c1ccc(Br)cc1
InChIInChI=1S/C19H22BrN3O/c1-2-3-12-22-16-6-4-5-7-17(16)23(19(22)21)13-18(24)14-8-10-15(20)11-9-14/h4-11,18,21,24H,2-3,12-13H2,1H3/b21-19+
InChIKeyPKDWMCPOYGKOMG-XUTLUUPISA-N
MW388.31 g/mol
LogP4.22
Rot. Bonds6

About 1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol

1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol (PubChem CID 3123768) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol
PubChem CID3123768
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC Name1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol
SMILES[H]/N=c1\n(CCCC)c2ccccc2n1CC(O)c1ccc(Br)cc1
InChIInChI=1S/C19H22BrN3O/c1-2-3-12-22-16-6-4-5-7-17(16)23(19(22)21)13-18(24)14-8-10-15(20)11-9-14/h4-11,18,21,24H,2-3,12-13H2,1H3/b21-19+
InChIKeyPKDWMCPOYGKOMG-XUTLUUPISA-N
XLogP4.22
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol?
The IUPAC name of 1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol (CID 3123768) is 1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol is [H]/N=c1\n(CCCC)c2ccccc2n1CC(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol?
The InChIKey is PKDWMCPOYGKOMG-XUTLUUPISA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-2-3-12-22-16-6-4-5-7-17(16)23(19(22)21)13-18(24)14-8-10-15(20)11-9-14/h4-11,18,21,24H,2-3,12-13H2,1H3/b21-19+.
What are the key properties of 1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol?
1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol has a molecular weight of 388.31 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol is sourced from PubChem (CID 3123768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).