1,3-dimethyl-3a,4-dihydrobenzimidazol-2-one

C9H12N2O — CID 23382278

IUPAC1,3-dimethyl-3a,4-dihydrobenzimidazol-2-one
SMILESCN1C(=O)N(C)C2CC=CC=C21
InChIInChI=1S/C9H12N2O/c1-10-7-5-3-4-6-8(7)11(2)9(10)12/h3-5,8H,6H2,1-2H3
InChIKeyBWAHXVLBGLXQTN-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.20
Rot. Bonds

About 1,3-dimethyl-3a,4-dihydrobenzimidazol-2-one

1,3-dimethyl-3a,4-dihydrobenzimidazol-2-one (PubChem CID 23382278) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1,3-dimethyl-3a,4-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-3a,4-dihydrobenzimidazol-2-one
PubChem CID23382278
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1,3-dimethyl-3a,4-dihydrobenzimidazol-2-one
SMILESCN1C(=O)N(C)C2CC=CC=C21
InChIInChI=1S/C9H12N2O/c1-10-7-5-3-4-6-8(7)11(2)9(10)12/h3-5,8H,6H2,1-2H3
InChIKeyBWAHXVLBGLXQTN-UHFFFAOYSA-N
XLogP1.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydrobenzimidazolone
CID 19852999
Dihydro-(1-methyl)ethyl-2-oxo-1h-benzimidazole-1-carboxamide
CID 129715873
3-methyl-3a,4-dihydro-1H-benzimidazol-2-one
CID 19853018
3-methyl-7,7a-dihydro-1H-benzimidazol-2-one
CID 21102007
3-methyl-3a,7a-dihydro-1H-benzimidazol-2-one
CID 53406300
1,3-dimethyl-3a,4-dihydro-2H-benzimidazole
CID 66870043
4-Methyl-1,3,3a,4-tetrahydrobenzimidazol-2-one
CID 68171404
3-(2-iodoethyl)-7,7a-dihydro-1H-benzimidazol-2-one
CID 69775354
3-methyl-5,6-dihydro-1H-benzimidazol-2-one
CID 89108115
1-Cyclohexa-2,4-dien-1-yl-3-methylimidazolidin-2-one
CID 89276858
1-(2,3,3a,4-Tetrahydrobenzimidazol-1-yl)ethanone
CID 141087021
3,7-dimethyl-7,7a-dihydro-1H-benzimidazol-2-one
CID 141787316

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3a,4-dihydrobenzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-3a,4-dihydrobenzimidazol-2-one (CID 23382278) is 1,3-dimethyl-3a,4-dihydrobenzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-3a,4-dihydrobenzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-3a,4-dihydrobenzimidazol-2-one is CN1C(=O)N(C)C2CC=CC=C21.
What is the InChIKey of 1,3-dimethyl-3a,4-dihydrobenzimidazol-2-one?
The InChIKey is BWAHXVLBGLXQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-10-7-5-3-4-6-8(7)11(2)9(10)12/h3-5,8H,6H2,1-2H3.
What are the key properties of 1,3-dimethyl-3a,4-dihydrobenzimidazol-2-one?
1,3-dimethyl-3a,4-dihydrobenzimidazol-2-one has a molecular weight of 164.21 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3a,4-dihydrobenzimidazol-2-one is sourced from PubChem (CID 23382278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).