4,5-dimethoxy-1H-benzimidazole

C9H10N2O2 — CID 54423692

IUPAC4,5-dimethoxy-1H-benzimidazole
SMILESCOc1ccc2[nH]cnc2c1OC
InChIInChI=1S/C9H10N2O2/c1-12-7-4-3-6-8(9(7)13-2)11-5-10-6/h3-5H,1-2H3,(H,10,11)
InChIKeyWIBFAFJXJRXRQK-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.58
Rot. Bonds2

About 4,5-dimethoxy-1H-benzimidazole

4,5-dimethoxy-1H-benzimidazole (PubChem CID 54423692) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4,5-dimethoxy-1H-benzimidazole.

Molecular Properties

Compound Name4,5-dimethoxy-1H-benzimidazole
PubChem CID54423692
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4,5-dimethoxy-1H-benzimidazole
SMILESCOc1ccc2[nH]cnc2c1OC
InChIInChI=1S/C9H10N2O2/c1-12-7-4-3-6-8(9(7)13-2)11-5-10-6/h3-5H,1-2H3,(H,10,11)
InChIKeyWIBFAFJXJRXRQK-UHFFFAOYSA-N
XLogP1.58
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-5-methyl-1H-benzimidazole
CID 91306611
4-fluoro-5-methoxy-1H-benzimidazole
CID 130850479
5-chloro-4-methoxy-1H-benzimidazole
CID 130049294
2-(4-methoxy-1H-benzimidazol-5-yl)ethanamine
CID 173196682
7-methoxy-3H-imidazo[4,5-c]pyridine
CID 76845964
8-fluoro-7-methoxy-3H-quinazolin-4-one
CID 136983588
4-(4-methoxy-3-pyridinyl)-1H-benzimidazole
CID 66835930
8-chloro-7-methoxy-3H-quinazolin-4-one;hydrochloride
CID 174823492
(7-methoxy-1H-benzimidazol-4-yl)methanol
CID 130983658
5-chloro-4-(difluoromethoxy)-1H-benzimidazole
CID 131117109
7-methoxy-3H-benzimidazole-5-carbonitrile
CID 130952637
5-(difluoromethoxy)-1H-benzimidazole-4-thiol
CID 131169605

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-1H-benzimidazole?
The IUPAC name of 4,5-dimethoxy-1H-benzimidazole (CID 54423692) is 4,5-dimethoxy-1H-benzimidazole.
What is the SMILES notation for 4,5-dimethoxy-1H-benzimidazole?
The canonical SMILES for 4,5-dimethoxy-1H-benzimidazole is COc1ccc2[nH]cnc2c1OC.
What is the InChIKey of 4,5-dimethoxy-1H-benzimidazole?
The InChIKey is WIBFAFJXJRXRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-12-7-4-3-6-8(9(7)13-2)11-5-10-6/h3-5H,1-2H3,(H,10,11).
What are the key properties of 4,5-dimethoxy-1H-benzimidazole?
4,5-dimethoxy-1H-benzimidazole has a molecular weight of 178.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-1H-benzimidazole is sourced from PubChem (CID 54423692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).