(6-chloro-3H-benzimidazol-5-yl)methanol

C8H7ClN2O — CID 130882807

IUPAC(6-chloro-3H-benzimidazol-5-yl)methanol
SMILESOCc1cc2[nH]cnc2cc1Cl
InChIInChI=1S/C8H7ClN2O/c9-6-2-8-7(10-4-11-8)1-5(6)3-12/h1-2,4,12H,3H2,(H,10,11)
InChIKeyDHRHUDFMFFGBMZ-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.71
Rot. Bonds1

About (6-chloro-3H-benzimidazol-5-yl)methanol

(6-chloro-3H-benzimidazol-5-yl)methanol (PubChem CID 130882807) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is (6-chloro-3H-benzimidazol-5-yl)methanol.

Molecular Properties

Compound Name(6-chloro-3H-benzimidazol-5-yl)methanol
PubChem CID130882807
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name(6-chloro-3H-benzimidazol-5-yl)methanol
SMILESOCc1cc2[nH]cnc2cc1Cl
InChIInChI=1S/C8H7ClN2O/c9-6-2-8-7(10-4-11-8)1-5(6)3-12/h1-2,4,12H,3H2,(H,10,11)
InChIKeyDHRHUDFMFFGBMZ-UHFFFAOYSA-N
XLogP1.71
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(hydroxymethyl)-1H-benzimidazol-5-ol
CID 130998540
2-(6-chloro-3H-benzimidazol-5-yl)ethanimidamide
CID 83884207
6-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid
CID 130864914
6-chloro-1H-benzimidazole-5-carboxylic acid
CID 57429095
[5-(3H-benzimidazol-5-yl)-2-methyl-1H-pyrrol-3-yl]methanol
CID 116828782
dichlorocobalt;5,6-dimethyl-1H-benzimidazole
CID 160743533
6-(difluoromethyl)-5-fluoro-1H-benzimidazole
CID 131115762
(2S)-2-amino-3-(6-hydroxy-3H-benzimidazol-5-yl)propanoic acid;dihydrobromide
CID 22807429
(2,4-dichloro-5-fluorophenyl)methanol
CID 2774017
2-chloro-1-[6-[(N'-chlorocarbamimidoyl)amino]-1H-benzimidazol-5-yl]guanidine
CID 70627804
5-chloro-6-methyl-1H-benzimidazole;pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecayne
CID 159227516
1-(3H-benzimidazol-5-yl)-3-(3-chloro-4-fluorophenyl)urea
CID 108885972

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3H-benzimidazol-5-yl)methanol?
The IUPAC name of (6-chloro-3H-benzimidazol-5-yl)methanol (CID 130882807) is (6-chloro-3H-benzimidazol-5-yl)methanol.
What is the SMILES notation for (6-chloro-3H-benzimidazol-5-yl)methanol?
The canonical SMILES for (6-chloro-3H-benzimidazol-5-yl)methanol is OCc1cc2[nH]cnc2cc1Cl.
What is the InChIKey of (6-chloro-3H-benzimidazol-5-yl)methanol?
The InChIKey is DHRHUDFMFFGBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c9-6-2-8-7(10-4-11-8)1-5(6)3-12/h1-2,4,12H,3H2,(H,10,11).
What are the key properties of (6-chloro-3H-benzimidazol-5-yl)methanol?
(6-chloro-3H-benzimidazol-5-yl)methanol has a molecular weight of 182.61 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3H-benzimidazol-5-yl)methanol is sourced from PubChem (CID 130882807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).