N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide

C13H15N3OS — CID 113081473

IUPACN-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1nc2c([nH]1)CCCC2)c1cccs1
InChIInChI=1S/C13H15N3OS/c17-13(11-6-3-7-18-11)14-8-12-15-9-4-1-2-5-10(9)16-12/h3,6-7H,1-2,4-5,8H2,(H,14,17)(H,15,16)
InChIKeyUOCYKBJPBJGYDO-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.28
Rot. Bonds3

About N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide

N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 113081473) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
PubChem CID113081473
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1nc2c([nH]1)CCCC2)c1cccs1
InChIInChI=1S/C13H15N3OS/c17-13(11-6-3-7-18-11)14-8-12-15-9-4-1-2-5-10(9)16-12/h3,6-7H,1-2,4-5,8H2,(H,14,17)(H,15,16)
InChIKeyUOCYKBJPBJGYDO-UHFFFAOYSA-N
XLogP2.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide (CID 113081473) is N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide is O=C(NCc1nc2c([nH]1)CCCC2)c1cccs1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is UOCYKBJPBJGYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c17-13(11-6-3-7-18-11)14-8-12-15-9-4-1-2-5-10(9)16-12/h3,6-7H,1-2,4-5,8H2,(H,14,17)(H,15,16).
What are the key properties of N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide?
N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 113081473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).