N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]thiophene-2-carboxamide

C19H22N4OS — CID 1250200

IUPACN-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]thiophene-2-carboxamide
SMILESCn1c(CN2CCCCC2)nc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C19H22N4OS/c1-22-16-8-7-14(20-19(24)17-6-5-11-25-17)12-15(16)21-18(22)13-23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,20,24)
InChIKeyQRKZPKDTLAGXBT-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.87
Rot. Bonds4

About N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]thiophene-2-carboxamide

N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]thiophene-2-carboxamide (PubChem CID 1250200) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]thiophene-2-carboxamide
PubChem CID1250200
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]thiophene-2-carboxamide
SMILESCn1c(CN2CCCCC2)nc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C19H22N4OS/c1-22-16-8-7-14(20-19(24)17-6-5-11-25-17)12-15(16)21-18(22)13-23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,20,24)
InChIKeyQRKZPKDTLAGXBT-UHFFFAOYSA-N
XLogP3.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]thiophene-2-carboxamide (CID 1250200) is N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]thiophene-2-carboxamide is Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3cccs3)ccc21.
What is the InChIKey of N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]thiophene-2-carboxamide?
The InChIKey is QRKZPKDTLAGXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-22-16-8-7-14(20-19(24)17-6-5-11-25-17)12-15(16)21-18(22)13-23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,20,24).
What are the key properties of N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]thiophene-2-carboxamide?
N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]thiophene-2-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1250200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).