5-(1,3-thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one

C11H10N4OS — CID 55110337

IUPAC5-(1,3-thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(NCc3cncs3)cc2[nH]1
InChIInChI=1S/C11H10N4OS/c16-11-14-9-2-1-7(3-10(9)15-11)13-5-8-4-12-6-17-8/h1-4,6,13H,5H2,(H2,14,15,16)
InChIKeyPMVUMQOYFIZJAD-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.92
Rot. Bonds3

About 5-(1,3-thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one

5-(1,3-thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one (PubChem CID 55110337) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is 5-(1,3-thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(1,3-thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one
PubChem CID55110337
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC Name5-(1,3-thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(NCc3cncs3)cc2[nH]1
InChIInChI=1S/C11H10N4OS/c16-11-14-9-2-1-7(3-10(9)15-11)13-5-8-4-12-6-17-8/h1-4,6,13H,5H2,(H2,14,15,16)
InChIKeyPMVUMQOYFIZJAD-UHFFFAOYSA-N
XLogP1.92
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_A(5)', 'substructure': 'N/A'}

Analyze 5-(1,3-thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-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

2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine
CID 62759070
5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 755955
5-[(3,5-dimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 60688526
5-[(2-cyclopropylpyrimidin-5-yl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 154802170
5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 28622210
5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43644891
6-[(4-chlorothiophen-2-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
CID 79419720
4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759823
5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 17060042
1-[4-(1,3-thiazol-5-ylmethylamino)phenyl]imidazolidin-2-one
CID 55110051
4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62760158
5-[(3-chloro-4-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 81143259

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(1,3-thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one (CID 55110337) is 5-(1,3-thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(1,3-thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(1,3-thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(NCc3cncs3)cc2[nH]1.
What is the InChIKey of 5-(1,3-thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PMVUMQOYFIZJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c16-11-14-9-2-1-7(3-10(9)15-11)13-5-8-4-12-6-17-8/h1-4,6,13H,5H2,(H2,14,15,16).
What are the key properties of 5-(1,3-thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one?
5-(1,3-thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 246.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 55110337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).