6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one

C12H17N3O — CID 90717928

IUPAC6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)n1c(=O)[nH]c2cc(N(C)C)ccc21
InChIInChI=1S/C12H17N3O/c1-8(2)15-11-6-5-9(14(3)4)7-10(11)13-12(15)16/h5-8H,1-4H3,(H,13,16)
InChIKeyAXRKROKDHJSCKP-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.98
Rot. Bonds2

About 6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one

6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one (PubChem CID 90717928) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one
PubChem CID90717928
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)n1c(=O)[nH]c2cc(N(C)C)ccc21
InChIInChI=1S/C12H17N3O/c1-8(2)15-11-6-5-9(14(3)4)7-10(11)13-12(15)16/h5-8H,1-4H3,(H,13,16)
InChIKeyAXRKROKDHJSCKP-UHFFFAOYSA-N
XLogP1.98
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one 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

1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
CID 88638
5-(Acetoacetylamino)benzimidazolone
CID 117822
1-Ebio
CID 82320
2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-
CID 84657
1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one
CID 75070
5-Amino-2-hydroxybenzimidazole
CID 66765
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 1527023
5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 779710
1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 231553
1-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-one
CID 1653580
1-Phenylimidazolidin-2-one
CID 255273
1,3-Dihydro-1-(1-methylvinyl)-2H-benzimidazol-2-one
CID 100278

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one?
The IUPAC name of 6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one (CID 90717928) is 6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one?
The canonical SMILES for 6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one is CC(C)n1c(=O)[nH]c2cc(N(C)C)ccc21.
What is the InChIKey of 6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one?
The InChIKey is AXRKROKDHJSCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(2)15-11-6-5-9(14(3)4)7-10(11)13-12(15)16/h5-8H,1-4H3,(H,13,16).
What are the key properties of 6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one?
6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 90717928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).