[5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol

C12H16BrN3O — CID 82332822

IUPAC[5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol
SMILESCN(C)CCn1c(CO)nc2cc(Br)ccc21
InChIInChI=1S/C12H16BrN3O/c1-15(2)5-6-16-11-4-3-9(13)7-10(11)14-12(16)8-17/h3-4,7,17H,5-6,8H2,1-2H3
InChIKeyPYCDQZRFUKHBIQ-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.85
Rot. Bonds4

About [5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol

[5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol (PubChem CID 82332822) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is [5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol
PubChem CID82332822
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name[5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol
SMILESCN(C)CCn1c(CO)nc2cc(Br)ccc21
InChIInChI=1S/C12H16BrN3O/c1-15(2)5-6-16-11-4-3-9(13)7-10(11)14-12(16)8-17/h3-4,7,17H,5-6,8H2,1-2H3
InChIKeyPYCDQZRFUKHBIQ-UHFFFAOYSA-N
XLogP1.85
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(dimethylamino)ethyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333285
[1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333288
2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylethanamine
CID 43660318
[1-[3-(dimethylamino)propyl]-5-propan-2-yloxybenzimidazol-2-yl]methanol
CID 82335370
2-(5-bromo-2-ethylbenzimidazol-1-yl)ethanamine
CID 84808266
1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine
CID 55080071
[6-bromo-1-(3-methylbutyl)benzimidazol-2-yl]methanol
CID 22349334
(6-bromo-1-ethylbenzimidazol-2-yl)methanol
CID 67247825
3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid
CID 84815767
[1-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzimidazol-2-yl]methanol
CID 46309336
2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82333974
5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole
CID 90864285

Frequently Asked Questions

What is the IUPAC name of [5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol?
The IUPAC name of [5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol (CID 82332822) is [5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol is CN(C)CCn1c(CO)nc2cc(Br)ccc21.
What is the InChIKey of [5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol?
The InChIKey is PYCDQZRFUKHBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-15(2)5-6-16-11-4-3-9(13)7-10(11)14-12(16)8-17/h3-4,7,17H,5-6,8H2,1-2H3.
What are the key properties of [5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol?
[5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol has a molecular weight of 298.18 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 82332822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).