1,3-dimethyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzimidazol-2-one

C18H21N3OS — CID 16676297

IUPAC1,3-dimethyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzimidazol-2-one
SMILESCC1c2ccsc2CCN1Cc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C18H21N3OS/c1-12-14-7-9-23-17(14)6-8-21(12)11-13-4-5-15-16(10-13)20(3)18(22)19(15)2/h4-5,7,9-10,12H,6,8,11H2,1-3H3
InChIKeyWVGDNTCQLQHJLE-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.06
Rot. Bonds2

About 1,3-dimethyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzimidazol-2-one

1,3-dimethyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzimidazol-2-one (PubChem CID 16676297) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzimidazol-2-one
PubChem CID16676297
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name1,3-dimethyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzimidazol-2-one
SMILESCC1c2ccsc2CCN1Cc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C18H21N3OS/c1-12-14-7-9-23-17(14)6-8-21(12)11-13-4-5-15-16(10-13)20(3)18(22)19(15)2/h4-5,7,9-10,12H,6,8,11H2,1-3H3
InChIKeyWVGDNTCQLQHJLE-UHFFFAOYSA-N
XLogP3.06
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzimidazol-2-one (CID 16676297) is 1,3-dimethyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzimidazol-2-one is CC1c2ccsc2CCN1Cc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 1,3-dimethyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzimidazol-2-one?
The InChIKey is WVGDNTCQLQHJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-12-14-7-9-23-17(14)6-8-21(12)11-13-4-5-15-16(10-13)20(3)18(22)19(15)2/h4-5,7,9-10,12H,6,8,11H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzimidazol-2-one?
1,3-dimethyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzimidazol-2-one has a molecular weight of 327.45 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzimidazol-2-one is sourced from PubChem (CID 16676297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).