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

C15H14N4OS — CID 141466122

IUPAC2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3cc4c(s3)CCNC4)nc12
InChIInChI=1S/C15H14N4OS/c16-14(20)9-2-1-3-10-13(9)19-15(18-10)12-6-8-7-17-5-4-11(8)21-12/h1-3,6,17H,4-5,7H2,(H2,16,20)(H,18,19)
InChIKeyNKJYUBWSGJMPAJ-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.04
Rot. Bonds2

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

2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 141466122) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID141466122
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3cc4c(s3)CCNC4)nc12
InChIInChI=1S/C15H14N4OS/c16-14(20)9-2-1-3-10-13(9)19-15(18-10)12-6-8-7-17-5-4-11(8)21-12/h1-3,6,17H,4-5,7H2,(H2,16,20)(H,18,19)
InChIKeyNKJYUBWSGJMPAJ-UHFFFAOYSA-N
XLogP2.04
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide (CID 141466122) is 2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3cc4c(s3)CCNC4)nc12.
What is the InChIKey of 2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is NKJYUBWSGJMPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c16-14(20)9-2-1-3-10-13(9)19-15(18-10)12-6-8-7-17-5-4-11(8)21-12/h1-3,6,17H,4-5,7H2,(H2,16,20)(H,18,19).
What are the key properties of 2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide?
2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 141466122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).