5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one

C14H14ClN3OS — CID 103400685

IUPAC5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc2[nH]c(=O)[nH]c2c1)c1scc(C)c1Cl
InChIInChI=1S/C14H14ClN3OS/c1-7-6-20-13(11(7)15)12(16-2)8-3-4-9-10(5-8)18-14(19)17-9/h3-6,12,16H,1-2H3,(H2,17,18,19)
InChIKeyHZBFZONMKXTZKH-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.19
Rot. Bonds3

About 5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one

5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 103400685) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is 5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID103400685
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc2[nH]c(=O)[nH]c2c1)c1scc(C)c1Cl
InChIInChI=1S/C14H14ClN3OS/c1-7-6-20-13(11(7)15)12(16-2)8-3-4-9-10(5-8)18-14(19)17-9/h3-6,12,16H,1-2H3,(H2,17,18,19)
InChIKeyHZBFZONMKXTZKH-UHFFFAOYSA-N
XLogP3.19
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 103400805
5-[(3-chloro-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 103404288
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 103406327
5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 79985054
1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 103405261
5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483588
5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483585
1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291759
5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 81479731
6-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 103400841
5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483555
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 103400697

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (CID 103400685) is 5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is CNC(c1ccc2[nH]c(=O)[nH]c2c1)c1scc(C)c1Cl.
What is the InChIKey of 5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HZBFZONMKXTZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c1-7-6-20-13(11(7)15)12(16-2)8-3-4-9-10(5-8)18-14(19)17-9/h3-6,12,16H,1-2H3,(H2,17,18,19).
What are the key properties of 5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 307.81 g/mol, XLogP of 3.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 103400685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).