1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one

C19H28N4O — CID 72550075

IUPAC1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one
SMILES[H]/N=c1\n(CCN2CCCCC2)c2ccccc2n1CC(=O)C(C)C
InChIInChI=1S/C19H28N4O/c1-15(2)18(24)14-23-17-9-5-4-8-16(17)22(19(23)20)13-12-21-10-6-3-7-11-21/h4-5,8-9,15,20H,3,6-7,10-14H2,1-2H3/b20-19+
InChIKeyYJQTZGAUFUDJLF-FMQUCBEESA-N
MW328.46 g/mol
LogP2.63
Rot. Bonds6

About 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one

1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one (PubChem CID 72550075) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one
PubChem CID72550075
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one
SMILES[H]/N=c1\n(CCN2CCCCC2)c2ccccc2n1CC(=O)C(C)C
InChIInChI=1S/C19H28N4O/c1-15(2)18(24)14-23-17-9-5-4-8-16(17)22(19(23)20)13-12-21-10-6-3-7-11-21/h4-5,8-9,15,20H,3,6-7,10-14H2,1-2H3/b20-19+
InChIKeyYJQTZGAUFUDJLF-FMQUCBEESA-N
XLogP2.63
TPSA54.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-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-cyclohexyl-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone
CID 72549860
methyl 2-[2-[2-imino-3-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetyl]benzoate;hydrobromide
CID 44889413
2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol
CID 2868077
1-(3,4-dimethoxyphenyl)-2-[2-imino-3-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide
CID 44889168
1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine
CID 1043068
1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol
CID 3130803
2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
CID 1125264
1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 2952649
1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol chloride
CID 53346962
1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide
CID 2881509
3-[(3,4-dichlorophenyl)methyl]-2-imino-1-(2-piperidin-1-ylethyl)quinazolin-4-one
CID 23856270
4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide
CID 163331898

Frequently Asked Questions

What is the IUPAC name of 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one?
The IUPAC name of 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one (CID 72550075) is 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one.
What is the SMILES notation for 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one?
The canonical SMILES for 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one is [H]/N=c1\n(CCN2CCCCC2)c2ccccc2n1CC(=O)C(C)C.
What is the InChIKey of 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one?
The InChIKey is YJQTZGAUFUDJLF-FMQUCBEESA-N. The full InChI is InChI=1S/C19H28N4O/c1-15(2)18(24)14-23-17-9-5-4-8-16(17)22(19(23)20)13-12-21-10-6-3-7-11-21/h4-5,8-9,15,20H,3,6-7,10-14H2,1-2H3/b20-19+.
What are the key properties of 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one?
1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one has a molecular weight of 328.46 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one is sourced from PubChem (CID 72550075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).