5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one

C15H17N3OS — CID 79985054

IUPAC5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCc1ccsc1C(NC)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H17N3OS/c1-3-9-6-7-20-14(9)13(16-2)10-4-5-11-12(8-10)18-15(19)17-11/h4-8,13,16H,3H2,1-2H3,(H2,17,18,19)
InChIKeyZBLJTMRCUKRPGF-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.79
Rot. Bonds4

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

5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 79985054) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID79985054
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCc1ccsc1C(NC)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H17N3OS/c1-3-9-6-7-20-14(9)13(16-2)10-4-5-11-12(8-10)18-15(19)17-11/h4-8,13,16H,3H2,1-2H3,(H2,17,18,19)
InChIKeyZBLJTMRCUKRPGF-UHFFFAOYSA-N
XLogP2.79
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 79974749
1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 104991296
5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 103400685
5-[(5-ethylfuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 79096507
1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 115791857
5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483585
5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483555
1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105022948
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985787
1-(3-ethylthiophen-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105018995
5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43496016
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985465

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (CID 79985054) is 5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is CCc1ccsc1C(NC)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ZBLJTMRCUKRPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-3-9-6-7-20-14(9)13(16-2)10-4-5-11-12(8-10)18-15(19)17-11/h4-8,13,16H,3H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 287.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 79985054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).