(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone

C13H14N2OS — CID 23512771

IUPAC(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESCc1ccc(C(=O)C2CCc3nc[nH]c3C2)s1
InChIInChI=1S/C13H14N2OS/c1-8-2-5-12(17-8)13(16)9-3-4-10-11(6-9)15-7-14-10/h2,5,7,9H,3-4,6H2,1H3,(H,14,15)
InChIKeyBXXWUECXXVXVKE-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.77
Rot. Bonds2

About (5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone

(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (PubChem CID 23512771) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
PubChem CID23512771
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESCc1ccc(C(=O)C2CCc3nc[nH]c3C2)s1
InChIInChI=1S/C13H14N2OS/c1-8-2-5-12(17-8)13(16)9-3-4-10-11(6-9)15-7-14-10/h2,5,7,9H,3-4,6H2,1H3,(H,14,15)
InChIKeyBXXWUECXXVXVKE-UHFFFAOYSA-N
XLogP2.77
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The IUPAC name of (5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (CID 23512771) is (5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for (5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for (5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone is Cc1ccc(C(=O)C2CCc3nc[nH]c3C2)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The InChIKey is BXXWUECXXVXVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-8-2-5-12(17-8)13(16)9-3-4-10-11(6-9)15-7-14-10/h2,5,7,9H,3-4,6H2,1H3,(H,14,15).
What are the key properties of (5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone has a molecular weight of 246.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 23512771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).