2-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C14H17N3OS — CID 91628413

IUPAC2-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)NCc1cccs1)CC2
InChIInChI=1S/C14H17N3OS/c1-9-16-12-5-4-10(7-13(12)17-9)14(18)15-8-11-3-2-6-19-11/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyCIDQKOTZWSHQBB-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.20
Rot. Bonds3

About 2-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

2-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 91628413) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID91628413
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)NCc1cccs1)CC2
InChIInChI=1S/C14H17N3OS/c1-9-16-12-5-4-10(7-13(12)17-9)14(18)15-8-11-3-2-6-19-11/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyCIDQKOTZWSHQBB-UHFFFAOYSA-N
XLogP2.20
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 91628413) is 2-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc2c([nH]1)CC(C(=O)NCc1cccs1)CC2.
What is the InChIKey of 2-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is CIDQKOTZWSHQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-16-12-5-4-10(7-13(12)17-9)14(18)15-8-11-3-2-6-19-11/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
2-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 91628413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).