aziridin-1-yl(1H-benzimidazol-2-yl)methanone

C10H9N3O — CID 45077903

IUPACaziridin-1-yl(1H-benzimidazol-2-yl)methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC1
InChIInChI=1S/C10H9N3O/c14-10(13-5-6-13)9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)
InChIKeyBOWRCMTWSUFJNH-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.02
Rot. Bonds1

About aziridin-1-yl(1H-benzimidazol-2-yl)methanone

aziridin-1-yl(1H-benzimidazol-2-yl)methanone (PubChem CID 45077903) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is aziridin-1-yl(1H-benzimidazol-2-yl)methanone.

Molecular Properties

Compound Nameaziridin-1-yl(1H-benzimidazol-2-yl)methanone
PubChem CID45077903
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Nameaziridin-1-yl(1H-benzimidazol-2-yl)methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC1
InChIInChI=1S/C10H9N3O/c14-10(13-5-6-13)9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)
InChIKeyBOWRCMTWSUFJNH-UHFFFAOYSA-N
XLogP1.02
TPSA48.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze aziridin-1-yl(1H-benzimidazol-2-yl)methanone 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

1H-benzimidazol-2-yl(piperidin-1-yl)methanone
CID 12620216
1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 126428921
molecular hydrogen;pyridin-3-yl 4-(1H-benzimidazole-2-carbonyl)piperazine-1-carboxylate
CID 143986416
1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 46909812
1H-benzimidazol-2-yl-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 139721550
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone
CID 167892131
[2-(4-methylpiperazine-1-carbonyl)-3H-benzimidazol-5-yl]-phenylmethanone
CID 10360375
1H-benzimidazol-2-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 86694195
1H-benzimidazole-2-carbothioic S-acid
CID 19781386
1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 56909563
2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135966308

Frequently Asked Questions

What is the IUPAC name of aziridin-1-yl(1H-benzimidazol-2-yl)methanone?
The IUPAC name of aziridin-1-yl(1H-benzimidazol-2-yl)methanone (CID 45077903) is aziridin-1-yl(1H-benzimidazol-2-yl)methanone.
What is the SMILES notation for aziridin-1-yl(1H-benzimidazol-2-yl)methanone?
The canonical SMILES for aziridin-1-yl(1H-benzimidazol-2-yl)methanone is O=C(c1nc2ccccc2[nH]1)N1CC1.
What is the InChIKey of aziridin-1-yl(1H-benzimidazol-2-yl)methanone?
The InChIKey is BOWRCMTWSUFJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-10(13-5-6-13)9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12).
What are the key properties of aziridin-1-yl(1H-benzimidazol-2-yl)methanone?
aziridin-1-yl(1H-benzimidazol-2-yl)methanone has a molecular weight of 187.20 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-1-yl(1H-benzimidazol-2-yl)methanone is sourced from PubChem (CID 45077903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).