2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone

C14H19N3O — CID 82497951

IUPAC2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
SMILESCNCC(=O)c1ccc2c(c1)nc(C(C)C)n2C
InChIInChI=1S/C14H19N3O/c1-9(2)14-16-11-7-10(13(18)8-15-3)5-6-12(11)17(14)4/h5-7,9,15H,8H2,1-4H3
InChIKeyRRWVYSFAMSLOFP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.10
Rot. Bonds4

About 2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone

2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone (PubChem CID 82497951) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
PubChem CID82497951
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
SMILESCNCC(=O)c1ccc2c(c1)nc(C(C)C)n2C
InChIInChI=1S/C14H19N3O/c1-9(2)14-16-11-7-10(13(18)8-15-3)5-6-12(11)17(14)4/h5-7,9,15H,8H2,1-4H3
InChIKeyRRWVYSFAMSLOFP-UHFFFAOYSA-N
XLogP2.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone 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

Aminomebendazole
CID 40320
Avanbulin
CID 11176685
[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
CID 3243760
N-(1-methylbenzimidazol-2-yl)benzamide
CID 780674
N-(1-ethylbenzimidazol-2-yl)benzamide
CID 872071
(1H-Benzimidazol-6-yl)(phenyl)methanone
CID 648179
1-Phenylbenzimidazole deriv. 72
CID 5328471
(1-methyl-1H-benzimidazol-2-yl)(phenyl)methanone
CID 677925
[2-(3-aminophenyl)-1H-benzimidazol-5-yl](phenyl)methanone
CID 763432
Mls000756290
CID 292579
2-Methyl-7-oxo-4,5,6,7-tetrahydroimidazo(4,5,1-jk)[1,4]benzodiazepine
CID 576186
N-(1-butylbenzimidazol-2-yl)benzamide
CID 2851364

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone?
The IUPAC name of 2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone (CID 82497951) is 2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone is CNCC(=O)c1ccc2c(c1)nc(C(C)C)n2C.
What is the InChIKey of 2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone?
The InChIKey is RRWVYSFAMSLOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(2)14-16-11-7-10(13(18)8-15-3)5-6-12(11)17(14)4/h5-7,9,15H,8H2,1-4H3.
What are the key properties of 2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone?
2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone has a molecular weight of 245.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone is sourced from PubChem (CID 82497951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).