5-bromo-6-[(5-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one

C13H11BrClN3OS — CID 62375563

IUPAC5-bromo-6-[(5-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc(Cl)s1)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C13H11BrClN3OS/c1-16-12(10-2-3-11(15)20-10)6-4-8-9(5-7(6)14)18-13(19)17-8/h2-5,12,16H,1H3,(H2,17,18,19)
InChIKeyYIXQODNXHXNEFB-UHFFFAOYSA-N
MW372.68 g/mol
LogP3.64
Rot. Bonds3

About 5-bromo-6-[(5-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[(5-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 62375563) has the molecular formula C13H11BrClN3OS and a molecular weight of 372.68 g/mol. Its IUPAC name is 5-bromo-6-[(5-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[(5-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID62375563
Molecular FormulaC13H11BrClN3OS
Molecular Weight372.68 g/mol
Exact Mass370.95
IUPAC Name5-bromo-6-[(5-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc(Cl)s1)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C13H11BrClN3OS/c1-16-12(10-2-3-11(15)20-10)6-4-8-9(5-7(6)14)18-13(19)17-8/h2-5,12,16H,1H3,(H2,17,18,19)
InChIKeyYIXQODNXHXNEFB-UHFFFAOYSA-N
XLogP3.64
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.68
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-bromo-6-[(5-chlorothiophen-2-yl)-(methylamino)methyl]-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

1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 62278586
5-bromo-6-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 107960973
5-bromo-6-[methylamino-(3-methylthiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62375397
5-bromo-6-[(2-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62375239
1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 114024428
5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one
CID 62374918
5-bromo-6-[2-ethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 62373406
5-bromo-6-[chloro-(4,5-dimethylthiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 65237904
5-bromo-6-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one
CID 79997266
1-(3-bromo-4-ethoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 104657513
1-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 61034062
1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 79749216

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(5-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[(5-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (CID 62375563) is 5-bromo-6-[(5-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[(5-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[(5-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is CNC(c1ccc(Cl)s1)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-bromo-6-[(5-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is YIXQODNXHXNEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3OS/c1-16-12(10-2-3-11(15)20-10)6-4-8-9(5-7(6)14)18-13(19)17-8/h2-5,12,16H,1H3,(H2,17,18,19).
What are the key properties of 5-bromo-6-[(5-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[(5-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 372.68 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(5-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62375563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).