5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole

C9H12N2O — CID 143474953

IUPAC5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole
SMILESCOc1ccc2c(c1)NC(C)N2
InChIInChI=1S/C9H12N2O/c1-6-10-8-4-3-7(12-2)5-9(8)11-6/h3-6,10-11H,1-2H3
InChIKeyZXSCWXNIKOUZGJ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.88
Rot. Bonds1

About 5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole

5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole (PubChem CID 143474953) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole
PubChem CID143474953
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole
SMILESCOc1ccc2c(c1)NC(C)N2
InChIInChI=1S/C9H12N2O/c1-6-10-8-4-3-7(12-2)5-9(8)11-6/h3-6,10-11H,1-2H3
InChIKeyZXSCWXNIKOUZGJ-UHFFFAOYSA-N
XLogP1.88
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine
CID 86340464
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CID 71486083
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(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
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3,7-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
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(3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one
CID 166462052
7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
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3-(5-cyclopropylpentyl)-7-methoxy-1,2,3,4-tetrahydroquinoxalin-2-ol
CID 129058018
(3S)-7-methoxy-3-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
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(3S)-7-methoxy-3-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepine-2-thione
CID 87090554
7-methoxy-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepine-2-thione
CID 23241535
7-methoxy-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 83217347

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole?
The IUPAC name of 5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole (CID 143474953) is 5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole.
What is the SMILES notation for 5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole?
The canonical SMILES for 5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole is COc1ccc2c(c1)NC(C)N2.
What is the InChIKey of 5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole?
The InChIKey is ZXSCWXNIKOUZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-10-8-4-3-7(12-2)5-9(8)11-6/h3-6,10-11H,1-2H3.
What are the key properties of 5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole?
5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole has a molecular weight of 164.21 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole is sourced from PubChem (CID 143474953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).