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

C15H16ClN3OS — CID 103400805

IUPAC5-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCNC(c1ccc2[nH]c(=O)[nH]c2c1)c1scc(C)c1Cl
InChIInChI=1S/C15H16ClN3OS/c1-3-17-13(14-12(16)8(2)7-21-14)9-4-5-10-11(6-9)19-15(20)18-10/h4-7,13,17H,3H2,1-2H3,(H2,18,19,20)
InChIKeyMHFQIGRQMOWROE-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.58
Rot. Bonds4

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

5-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 103400805) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 5-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID103400805
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name5-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCNC(c1ccc2[nH]c(=O)[nH]c2c1)c1scc(C)c1Cl
InChIInChI=1S/C15H16ClN3OS/c1-3-17-13(14-12(16)8(2)7-21-14)9-4-5-10-11(6-9)19-15(20)18-10/h4-7,13,17H,3H2,1-2H3,(H2,18,19,20)
InChIKeyMHFQIGRQMOWROE-UHFFFAOYSA-N
XLogP3.58
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 103400685
6-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 103400841
5-[(3-chloro-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 103404288
N-[(3-chloro-4-methylthiophen-2-yl)-(4-chlorophenyl)methyl]ethanamine
CID 103400778
N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 103405840
N-[(3-chloro-4-methylthiophen-2-yl)-(4-propylphenyl)methyl]ethanamine
CID 103400826
N-[(3-chloro-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 103406913
N-[(3-chloro-4-methylthiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine
CID 103401153
N-[(3-chloro-4-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103405896
5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 79985054
5-[1-(ethylamino)-2-phenylethyl]-1,3-dihydrobenzimidazol-2-one
CID 43490689
N-[(3-chloro-4-methylthiophen-2-yl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine
CID 103401324

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one (CID 103400805) is 5-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one is CCNC(c1ccc2[nH]c(=O)[nH]c2c1)c1scc(C)c1Cl.
What is the InChIKey of 5-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MHFQIGRQMOWROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-3-17-13(14-12(16)8(2)7-21-14)9-4-5-10-11(6-9)19-15(20)18-10/h4-7,13,17H,3H2,1-2H3,(H2,18,19,20).
What are the key properties of 5-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 321.83 g/mol, XLogP of 3.58, 4 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)-(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 103400805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).