(2-amino-7-bromo-1H-benzimidazol-4-yl)methanol

C8H8BrN3O — CID 130837922

IUPAC(2-amino-7-bromo-1H-benzimidazol-4-yl)methanol
SMILESNc1nc2c(CO)ccc(Br)c2[nH]1
InChIInChI=1S/C8H8BrN3O/c9-5-2-1-4(3-13)6-7(5)12-8(10)11-6/h1-2,13H,3H2,(H3,10,11,12)
InChIKeyJNHZEEDLYFFIEG-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.40
Rot. Bonds1

About (2-amino-7-bromo-1H-benzimidazol-4-yl)methanol

(2-amino-7-bromo-1H-benzimidazol-4-yl)methanol (PubChem CID 130837922) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is (2-amino-7-bromo-1H-benzimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2-amino-7-bromo-1H-benzimidazol-4-yl)methanol
PubChem CID130837922
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC Name(2-amino-7-bromo-1H-benzimidazol-4-yl)methanol
SMILESNc1nc2c(CO)ccc(Br)c2[nH]1
InChIInChI=1S/C8H8BrN3O/c9-5-2-1-4(3-13)6-7(5)12-8(10)11-6/h1-2,13H,3H2,(H3,10,11,12)
InChIKeyJNHZEEDLYFFIEG-UHFFFAOYSA-N
XLogP1.40
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-(bromomethyl)-3H-benzimidazole-2,4-diamine
CID 130780242
5-bromo-4-(bromomethyl)-1H-benzimidazol-2-amine
CID 130883683
(2-amino-4-bromo-3-fluorophenyl)methanol
CID 150043826
(2-amino-4,5-dibromophenyl)methanol
CID 90154017
(4-amino-1H-indol-7-yl)methanol
CID 123789224
(2,8-diamino-7H-purin-6-yl)methanol
CID 45120876
4-chloro-3H-imidazo[4,5-c]quinolin-2-amine
CID 87165995
(2-bromo-6-chloro-3-pyridinyl)methanol
CID 70701000
4-bromo-5-methyl-1H-benzimidazol-2-amine
CID 130051699
(8-bromo-3-fluoroquinolin-5-yl)methanol
CID 146567212
(4-bromo-2-chloro-3-fluorophenyl)methanol
CID 117351692
3-bromo-4-(hydroxymethyl)phenol
CID 54447662

Frequently Asked Questions

What is the IUPAC name of (2-amino-7-bromo-1H-benzimidazol-4-yl)methanol?
The IUPAC name of (2-amino-7-bromo-1H-benzimidazol-4-yl)methanol (CID 130837922) is (2-amino-7-bromo-1H-benzimidazol-4-yl)methanol.
What is the SMILES notation for (2-amino-7-bromo-1H-benzimidazol-4-yl)methanol?
The canonical SMILES for (2-amino-7-bromo-1H-benzimidazol-4-yl)methanol is Nc1nc2c(CO)ccc(Br)c2[nH]1.
What is the InChIKey of (2-amino-7-bromo-1H-benzimidazol-4-yl)methanol?
The InChIKey is JNHZEEDLYFFIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O/c9-5-2-1-4(3-13)6-7(5)12-8(10)11-6/h1-2,13H,3H2,(H3,10,11,12).
What are the key properties of (2-amino-7-bromo-1H-benzimidazol-4-yl)methanol?
(2-amino-7-bromo-1H-benzimidazol-4-yl)methanol has a molecular weight of 242.08 g/mol, XLogP of 1.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-7-bromo-1H-benzimidazol-4-yl)methanol is sourced from PubChem (CID 130837922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).