(4-amino-6-chloro-1H-benzimidazol-2-yl)methanol

C8H8ClN3O — CID 115647651

IUPAC(4-amino-6-chloro-1H-benzimidazol-2-yl)methanol
SMILESNc1cc(Cl)cc2[nH]c(CO)nc12
InChIInChI=1S/C8H8ClN3O/c9-4-1-5(10)8-6(2-4)11-7(3-13)12-8/h1-2,13H,3,10H2,(H,11,12)
InChIKeyHYNORHHYTOGXBN-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.29
Rot. Bonds1

About (4-amino-6-chloro-1H-benzimidazol-2-yl)methanol

(4-amino-6-chloro-1H-benzimidazol-2-yl)methanol (PubChem CID 115647651) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is (4-amino-6-chloro-1H-benzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(4-amino-6-chloro-1H-benzimidazol-2-yl)methanol
PubChem CID115647651
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name(4-amino-6-chloro-1H-benzimidazol-2-yl)methanol
SMILESNc1cc(Cl)cc2[nH]c(CO)nc12
InChIInChI=1S/C8H8ClN3O/c9-4-1-5(10)8-6(2-4)11-7(3-13)12-8/h1-2,13H,3,10H2,(H,11,12)
InChIKeyHYNORHHYTOGXBN-UHFFFAOYSA-N
XLogP1.29
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-6-chloro-1H-benzimidazol-2-yl)methanol?
The IUPAC name of (4-amino-6-chloro-1H-benzimidazol-2-yl)methanol (CID 115647651) is (4-amino-6-chloro-1H-benzimidazol-2-yl)methanol.
What is the SMILES notation for (4-amino-6-chloro-1H-benzimidazol-2-yl)methanol?
The canonical SMILES for (4-amino-6-chloro-1H-benzimidazol-2-yl)methanol is Nc1cc(Cl)cc2[nH]c(CO)nc12.
What is the InChIKey of (4-amino-6-chloro-1H-benzimidazol-2-yl)methanol?
The InChIKey is HYNORHHYTOGXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c9-4-1-5(10)8-6(2-4)11-7(3-13)12-8/h1-2,13H,3,10H2,(H,11,12).
What are the key properties of (4-amino-6-chloro-1H-benzimidazol-2-yl)methanol?
(4-amino-6-chloro-1H-benzimidazol-2-yl)methanol has a molecular weight of 197.62 g/mol, XLogP of 1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-chloro-1H-benzimidazol-2-yl)methanol is sourced from PubChem (CID 115647651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).