(4-methylpiperidin-1-yl)-(2-thiophen-2-yl-3H-benzimidazol-5-yl)methanone

C18H19N3OS — CID 3008661

IUPAC(4-methylpiperidin-1-yl)-(2-thiophen-2-yl-3H-benzimidazol-5-yl)methanone
SMILESCC1CCN(C(=O)c2ccc3nc(-c4cccs4)[nH]c3c2)CC1
InChIInChI=1S/C18H19N3OS/c1-12-6-8-21(9-7-12)18(22)13-4-5-14-15(11-13)20-17(19-14)16-3-2-10-23-16/h2-5,10-12H,6-9H2,1H3,(H,19,20)
InChIKeyNOUPNSLMKBYHSA-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.16
Rot. Bonds2

About (4-methylpiperidin-1-yl)-(2-thiophen-2-yl-3H-benzimidazol-5-yl)methanone

(4-methylpiperidin-1-yl)-(2-thiophen-2-yl-3H-benzimidazol-5-yl)methanone (PubChem CID 3008661) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(2-thiophen-2-yl-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(2-thiophen-2-yl-3H-benzimidazol-5-yl)methanone
PubChem CID3008661
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name(4-methylpiperidin-1-yl)-(2-thiophen-2-yl-3H-benzimidazol-5-yl)methanone
SMILESCC1CCN(C(=O)c2ccc3nc(-c4cccs4)[nH]c3c2)CC1
InChIInChI=1S/C18H19N3OS/c1-12-6-8-21(9-7-12)18(22)13-4-5-14-15(11-13)20-17(19-14)16-3-2-10-23-16/h2-5,10-12H,6-9H2,1H3,(H,19,20)
InChIKeyNOUPNSLMKBYHSA-UHFFFAOYSA-N
XLogP4.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-methylpiperidin-1-yl)-(2-thiophen-2-yl-3H-benzimidazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(2-thiophen-2-yl-3H-benzimidazol-5-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(2-thiophen-2-yl-3H-benzimidazol-5-yl)methanone (CID 3008661) is (4-methylpiperidin-1-yl)-(2-thiophen-2-yl-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(2-thiophen-2-yl-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(2-thiophen-2-yl-3H-benzimidazol-5-yl)methanone is CC1CCN(C(=O)c2ccc3nc(-c4cccs4)[nH]c3c2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(2-thiophen-2-yl-3H-benzimidazol-5-yl)methanone?
The InChIKey is NOUPNSLMKBYHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12-6-8-21(9-7-12)18(22)13-4-5-14-15(11-13)20-17(19-14)16-3-2-10-23-16/h2-5,10-12H,6-9H2,1H3,(H,19,20).
What are the key properties of (4-methylpiperidin-1-yl)-(2-thiophen-2-yl-3H-benzimidazol-5-yl)methanone?
(4-methylpiperidin-1-yl)-(2-thiophen-2-yl-3H-benzimidazol-5-yl)methanone has a molecular weight of 325.44 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(2-thiophen-2-yl-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 3008661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).