6-amino-1,3-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-2-one

C15H20N4O — CID 177184921

IUPAC6-amino-1,3-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-2-one
SMILESCN1CC=C(c2cc(N)cc3c2n(C)c(=O)n3C)CC1
InChIInChI=1S/C15H20N4O/c1-17-6-4-10(5-7-17)12-8-11(16)9-13-14(12)19(3)15(20)18(13)2/h4,8-9H,5-7,16H2,1-3H3
InChIKeyYICJDMMMXUJDRS-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.18
Rot. Bonds1

About 6-amino-1,3-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-2-one

6-amino-1,3-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-2-one (PubChem CID 177184921) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-2-one.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-2-one
PubChem CID177184921
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name6-amino-1,3-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-2-one
SMILESCN1CC=C(c2cc(N)cc3c2n(C)c(=O)n3C)CC1
InChIInChI=1S/C15H20N4O/c1-17-6-4-10(5-7-17)12-8-11(16)9-13-14(12)19(3)15(20)18(13)2/h4,8-9H,5-7,16H2,1-3H3
InChIKeyYICJDMMMXUJDRS-UHFFFAOYSA-N
XLogP1.18
TPSA56.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-1,3-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)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

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-2-one?
The IUPAC name of 6-amino-1,3-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-2-one (CID 177184921) is 6-amino-1,3-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-2-one.
What is the SMILES notation for 6-amino-1,3-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-2-one?
The canonical SMILES for 6-amino-1,3-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-2-one is CN1CC=C(c2cc(N)cc3c2n(C)c(=O)n3C)CC1.
What is the InChIKey of 6-amino-1,3-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-2-one?
The InChIKey is YICJDMMMXUJDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-17-6-4-10(5-7-17)12-8-11(16)9-13-14(12)19(3)15(20)18(13)2/h4,8-9H,5-7,16H2,1-3H3.
What are the key properties of 6-amino-1,3-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-2-one?
6-amino-1,3-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzimidazol-2-one is sourced from PubChem (CID 177184921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).