6-methyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide

C16H16N4OS — CID 141466120

IUPAC6-methyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCc1cc(C(N)=O)c2nc(-c3cc4c(s3)CNCC4)[nH]c2c1
InChIInChI=1S/C16H16N4OS/c1-8-4-10(15(17)21)14-11(5-8)19-16(20-14)12-6-9-2-3-18-7-13(9)22-12/h4-6,18H,2-3,7H2,1H3,(H2,17,21)(H,19,20)
InChIKeyRMTXPZAKIDWSDV-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.34
Rot. Bonds2

About 6-methyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide

6-methyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 141466120) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 6-methyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID141466120
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name6-methyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCc1cc(C(N)=O)c2nc(-c3cc4c(s3)CNCC4)[nH]c2c1
InChIInChI=1S/C16H16N4OS/c1-8-4-10(15(17)21)14-11(5-8)19-16(20-14)12-6-9-2-3-18-7-13(9)22-12/h4-6,18H,2-3,7H2,1H3,(H2,17,21)(H,19,20)
InChIKeyRMTXPZAKIDWSDV-UHFFFAOYSA-N
XLogP2.34
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-methyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide (CID 141466120) is 6-methyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-methyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide is Cc1cc(C(N)=O)c2nc(-c3cc4c(s3)CNCC4)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is RMTXPZAKIDWSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-8-4-10(15(17)21)14-11(5-8)19-16(20-14)12-6-9-2-3-18-7-13(9)22-12/h4-6,18H,2-3,7H2,1H3,(H2,17,21)(H,19,20).
What are the key properties of 6-methyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
6-methyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 141466120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).