3,5-dimethyl-1H-benzimidazol-2-one;molecular hydrogen

C9H12N2O — CID 144928810

IUPAC3,5-dimethyl-1H-benzimidazol-2-one;molecular hydrogen
SMILESCc1ccc2[nH]c(=O)n(C)c2c1.[H][H]
InChIInChI=1S/C9H10N2O.H2/c1-6-3-4-7-8(5-6)11(2)9(12)10-7;/h3-5H,1-2H3,(H,10,12);1H
InChIKeyLPEVESNASKMVRO-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.42
Rot. Bonds

About 3,5-dimethyl-1H-benzimidazol-2-one;molecular hydrogen

3,5-dimethyl-1H-benzimidazol-2-one;molecular hydrogen (PubChem CID 144928810) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3,5-dimethyl-1H-benzimidazol-2-one;molecular hydrogen.

Molecular Properties

Compound Name3,5-dimethyl-1H-benzimidazol-2-one;molecular hydrogen
PubChem CID144928810
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3,5-dimethyl-1H-benzimidazol-2-one;molecular hydrogen
SMILESCc1ccc2[nH]c(=O)n(C)c2c1.[H][H]
InChIInChI=1S/C9H10N2O.H2/c1-6-3-4-7-8(5-6)11(2)9(12)10-7;/h3-5H,1-2H3,(H,10,12);1H
InChIKeyLPEVESNASKMVRO-UHFFFAOYSA-N
XLogP1.42
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-1H-benzimidazol-2-one;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen
CID 144928816
3-methyl-5-sulfanyl-1H-benzimidazol-2-one
CID 142595013
3-tert-butyl-5-methyl-1H-benzimidazol-2-one
CID 117208328
3-methyl-2-oxo-1H-benzimidazole-5-carbaldehyde
CID 83874497
6-methyl-2-oxo-3H-benzimidazole-1-carbonyl chloride
CID 21444777
3-butan-2-yl-5-methyl-1H-benzimidazol-2-one
CID 163842228
5-(2-aminopropyl)-3-methyl-1H-benzimidazol-2-one
CID 83882487
5,6-diamino-3-methyl-1H-benzimidazol-2-one
CID 10910122
4,7-dimethyl-1H-quinoxaline-2,3-dione
CID 18788081
3-[(2-hydroxyphenyl)methyl]-5-methyl-1H-benzimidazol-2-one
CID 117208246
3-(3-chlorophenyl)-5-methyl-1H-benzimidazol-2-one
CID 117208339
6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen
CID 145445057

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1H-benzimidazol-2-one;molecular hydrogen?
The IUPAC name of 3,5-dimethyl-1H-benzimidazol-2-one;molecular hydrogen (CID 144928810) is 3,5-dimethyl-1H-benzimidazol-2-one;molecular hydrogen.
What is the SMILES notation for 3,5-dimethyl-1H-benzimidazol-2-one;molecular hydrogen?
The canonical SMILES for 3,5-dimethyl-1H-benzimidazol-2-one;molecular hydrogen is Cc1ccc2[nH]c(=O)n(C)c2c1.[H][H].
What is the InChIKey of 3,5-dimethyl-1H-benzimidazol-2-one;molecular hydrogen?
The InChIKey is LPEVESNASKMVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.H2/c1-6-3-4-7-8(5-6)11(2)9(12)10-7;/h3-5H,1-2H3,(H,10,12);1H.
What are the key properties of 3,5-dimethyl-1H-benzimidazol-2-one;molecular hydrogen?
3,5-dimethyl-1H-benzimidazol-2-one;molecular hydrogen has a molecular weight of 164.21 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1H-benzimidazol-2-one;molecular hydrogen is sourced from PubChem (CID 144928810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).