(5,6-dibromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol

C15H12Br2N2O — CID 139310075

IUPAC(5,6-dibromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol
SMILESCc1c(Br)c(Br)cc2[nH]c(C(O)c3ccccc3)nc12
InChIInChI=1S/C15H12Br2N2O/c1-8-12(17)10(16)7-11-13(8)19-15(18-11)14(20)9-5-3-2-4-6-9/h2-7,14,20H,1H3,(H,18,19)
InChIKeyUQUYGKHBJUMMOK-UHFFFAOYSA-N
MW396.08 g/mol
LogP4.48
Rot. Bonds2

About (5,6-dibromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol

(5,6-dibromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol (PubChem CID 139310075) has the molecular formula C15H12Br2N2O and a molecular weight of 396.08 g/mol. Its IUPAC name is (5,6-dibromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(5,6-dibromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol
PubChem CID139310075
Molecular FormulaC15H12Br2N2O
Molecular Weight396.08 g/mol
Exact Mass393.93
IUPAC Name(5,6-dibromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol
SMILESCc1c(Br)c(Br)cc2[nH]c(C(O)c3ccccc3)nc12
InChIInChI=1S/C15H12Br2N2O/c1-8-12(17)10(16)7-11-13(8)19-15(18-11)14(20)9-5-3-2-4-6-9/h2-7,14,20H,1H3,(H,18,19)
InChIKeyUQUYGKHBJUMMOK-UHFFFAOYSA-N
XLogP4.48
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.08
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol
CID 104574600
(S)-3H-benzo[e]benzimidazol-2-yl(phenyl)methanol
CID 125482110
(5-chloro-6-methyl-1H-benzimidazol-2-yl)-phenylmethanol
CID 137483151
[4-(aminomethyl)-1H-benzimidazol-2-yl]-phenylmethanol
CID 104721149
6-bromo-2-[methoxy(phenyl)methyl]-4-methyl-1H-benzimidazole
CID 104574511
phenyl-(4-phenylmethoxy-1H-benzimidazol-2-yl)methanol
CID 13162241
2-[hydroxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821328
[6-chloro-5-[2-(difluoromethoxy)phenyl]-4-methyl-1H-benzimidazol-2-yl]-(4-methylsulfanylphenyl)methanol;ethane
CID 153360252
[6-chloro-4-methyl-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]-(4-methylsulfinylphenyl)methanol;ethane
CID 153360416
1H-benzimidazol-2-yl-(4-chlorophenyl)methanol
CID 21125
(R)-(6-bromo-1H-benzimidazol-2-yl)-(3-chlorophenyl)methanol
CID 125480955
(4-chlorophenyl)-(3H-imidazo[4,5-c]quinolin-2-yl)methanol
CID 19804708

Frequently Asked Questions

What is the IUPAC name of (5,6-dibromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol?
The IUPAC name of (5,6-dibromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol (CID 139310075) is (5,6-dibromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol.
What is the SMILES notation for (5,6-dibromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol?
The canonical SMILES for (5,6-dibromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol is Cc1c(Br)c(Br)cc2[nH]c(C(O)c3ccccc3)nc12.
What is the InChIKey of (5,6-dibromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol?
The InChIKey is UQUYGKHBJUMMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2O/c1-8-12(17)10(16)7-11-13(8)19-15(18-11)14(20)9-5-3-2-4-6-9/h2-7,14,20H,1H3,(H,18,19).
What are the key properties of (5,6-dibromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol?
(5,6-dibromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol has a molecular weight of 396.08 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dibromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol is sourced from PubChem (CID 139310075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).