1-(4-methoxy-1H-benzimidazol-2-yl)ethanone

C10H10N2O2 — CID 18316612

IUPAC1-(4-methoxy-1H-benzimidazol-2-yl)ethanone
SMILESCOc1cccc2[nH]c(C(C)=O)nc12
InChIInChI=1S/C10H10N2O2/c1-6(13)10-11-7-4-3-5-8(14-2)9(7)12-10/h3-5H,1-2H3,(H,11,12)
InChIKeyDCOBBFHYVSMDKD-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.77
Rot. Bonds2

About 1-(4-methoxy-1H-benzimidazol-2-yl)ethanone

1-(4-methoxy-1H-benzimidazol-2-yl)ethanone (PubChem CID 18316612) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(4-methoxy-1H-benzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-1H-benzimidazol-2-yl)ethanone
PubChem CID18316612
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-(4-methoxy-1H-benzimidazol-2-yl)ethanone
SMILESCOc1cccc2[nH]c(C(C)=O)nc12
InChIInChI=1S/C10H10N2O2/c1-6(13)10-11-7-4-3-5-8(14-2)9(7)12-10/h3-5H,1-2H3,(H,11,12)
InChIKeyDCOBBFHYVSMDKD-UHFFFAOYSA-N
XLogP1.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-1H-benzimidazol-2-yl)ethanethiol
CID 166986048
4-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 84618412
4-methoxy-1H-benzimidazole-2-carbonitrile
CID 119084277
(3S,3aS,6aR)-2-(4-methoxy-1H-benzimidazole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 162695551
2-(4-methoxy-1H-benzimidazol-2-yl)pyridine-3-carboxylic acid
CID 67942842
acetic acid;1-methoxyphenazine
CID 174937212
[2-(trifluoromethyl)-1H-benzimidazol-4-yl] acetate
CID 76845861
methyl 4-sulfanyl-1H-benzimidazole-2-carboxylate
CID 130956320
4-[(4-methoxy-1H-benzimidazol-2-yl)amino]phenol
CID 143998312
[(6R)-5-ethenyl-6-methyl-4-(methylideneamino)-3,6-dihydro-2H-pyridin-1-yl]-(4-methoxy-1H-benzimidazol-2-yl)methanone
CID 177022024
4-methoxycarbonyl-1H-benzimidazole-2-carboxylic acid
CID 18354914
4-methoxy-10H-indolo[3,2-b]quinoline-11-carboxylic acid
CID 10493837

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1H-benzimidazol-2-yl)ethanone?
The IUPAC name of 1-(4-methoxy-1H-benzimidazol-2-yl)ethanone (CID 18316612) is 1-(4-methoxy-1H-benzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-methoxy-1H-benzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(4-methoxy-1H-benzimidazol-2-yl)ethanone is COc1cccc2[nH]c(C(C)=O)nc12.
What is the InChIKey of 1-(4-methoxy-1H-benzimidazol-2-yl)ethanone?
The InChIKey is DCOBBFHYVSMDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6(13)10-11-7-4-3-5-8(14-2)9(7)12-10/h3-5H,1-2H3,(H,11,12).
What are the key properties of 1-(4-methoxy-1H-benzimidazol-2-yl)ethanone?
1-(4-methoxy-1H-benzimidazol-2-yl)ethanone has a molecular weight of 190.20 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1H-benzimidazol-2-yl)ethanone is sourced from PubChem (CID 18316612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).