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

C19H23BrClN3O — CID 45488417

IUPAC1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride
SMILESCl.[H]/N=c1\n(CCCC)c2ccccc2n1CC(O)c1ccc(Br)cc1
InChIInChI=1S/C19H22BrN3O.ClH/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;1H/b21-19+;
InChIKeyQHYWWVFSQKKMFW-UXJRWBAGSA-N
MW424.77 g/mol
LogP4.64
Rot. Bonds6

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

1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride (PubChem CID 45488417) has the molecular formula C19H23BrClN3O and a molecular weight of 424.77 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride
PubChem CID45488417
Molecular FormulaC19H23BrClN3O
Molecular Weight424.77 g/mol
Exact Mass423.07
IUPAC Name1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride
SMILESCl.[H]/N=c1\n(CCCC)c2ccccc2n1CC(O)c1ccc(Br)cc1
InChIInChI=1S/C19H22BrN3O.ClH/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;1H/b21-19+;
InChIKeyQHYWWVFSQKKMFW-UXJRWBAGSA-N
XLogP4.64
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.77
LogP ≤ 54.64
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;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride (CID 45488417) is 1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride is Cl.[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;hydrochloride?
The InChIKey is QHYWWVFSQKKMFW-UXJRWBAGSA-N. The full InChI is InChI=1S/C19H22BrN3O.ClH/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;1H/b21-19+;.
What are the key properties of 1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride?
1-(4-bromophenyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride has a molecular weight of 424.77 g/mol, XLogP of 4.64, 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;hydrochloride is sourced from PubChem (CID 45488417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).