2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone

C16H20N4O2 — CID 82067581

IUPAC2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
SMILESNc1cccc2c1nc(C1CC1)n2CC(=O)N1CCOCC1
InChIInChI=1S/C16H20N4O2/c17-12-2-1-3-13-15(12)18-16(11-4-5-11)20(13)10-14(21)19-6-8-22-9-7-19/h1-3,11H,4-10,17H2
InChIKeyQIOLWWYHXZWTIP-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.35
Rot. Bonds3

About 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone

2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone (PubChem CID 82067581) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
PubChem CID82067581
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
SMILESNc1cccc2c1nc(C1CC1)n2CC(=O)N1CCOCC1
InChIInChI=1S/C16H20N4O2/c17-12-2-1-3-13-15(12)18-16(11-4-5-11)20(13)10-14(21)19-6-8-22-9-7-19/h1-3,11H,4-10,17H2
InChIKeyQIOLWWYHXZWTIP-UHFFFAOYSA-N
XLogP1.35
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone 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

2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
CID 82067577
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide
CID 82067647
N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
CID 82067579
2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine
CID 82067737
2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine
CID 82067623
2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine
CID 82067653
1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
CID 16996658
2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 16996660
1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000579
1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone
CID 16996586
2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
CID 601048
6-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 122160609

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone (CID 82067581) is 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone is Nc1cccc2c1nc(C1CC1)n2CC(=O)N1CCOCC1.
What is the InChIKey of 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is QIOLWWYHXZWTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-12-2-1-3-13-15(12)18-16(11-4-5-11)20(13)10-14(21)19-6-8-22-9-7-19/h1-3,11H,4-10,17H2.
What are the key properties of 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone?
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 300.36 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 82067581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).