N-(1-benzylpiperidin-4-yl)-5-(5,6-dichloro-1H-benzimidazol-2-yl)thiophene-2-carboxamide

C24H22Cl2N4OS — CID 44534282

IUPACN-(1-benzylpiperidin-4-yl)-5-(5,6-dichloro-1H-benzimidazol-2-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)s1
InChIInChI=1S/C24H22Cl2N4OS/c25-17-12-19-20(13-18(17)26)29-23(28-19)21-6-7-22(32-21)24(31)27-16-8-10-30(11-9-16)14-15-4-2-1-3-5-15/h1-7,12-13,16H,8-11,14H2,(H,27,31)(H,28,29)
InChIKeyZQNSTVLGNCPBPY-UHFFFAOYSA-N
MW485.44 g/mol
LogP5.99
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-5-(5,6-dichloro-1H-benzimidazol-2-yl)thiophene-2-carboxamide

N-(1-benzylpiperidin-4-yl)-5-(5,6-dichloro-1H-benzimidazol-2-yl)thiophene-2-carboxamide (PubChem CID 44534282) has the molecular formula C24H22Cl2N4OS and a molecular weight of 485.44 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-(5,6-dichloro-1H-benzimidazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-(5,6-dichloro-1H-benzimidazol-2-yl)thiophene-2-carboxamide
PubChem CID44534282
Molecular FormulaC24H22Cl2N4OS
Molecular Weight485.44 g/mol
Exact Mass484.09
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-(5,6-dichloro-1H-benzimidazol-2-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)s1
InChIInChI=1S/C24H22Cl2N4OS/c25-17-12-19-20(13-18(17)26)29-23(28-19)21-6-7-22(32-21)24(31)27-16-8-10-30(11-9-16)14-15-4-2-1-3-5-15/h1-7,12-13,16H,8-11,14H2,(H,27,31)(H,28,29)
InChIKeyZQNSTVLGNCPBPY-UHFFFAOYSA-N
XLogP5.99
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.44
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-(5,6-dichloro-1H-benzimidazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-(5,6-dichloro-1H-benzimidazol-2-yl)thiophene-2-carboxamide (CID 44534282) is N-(1-benzylpiperidin-4-yl)-5-(5,6-dichloro-1H-benzimidazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-(5,6-dichloro-1H-benzimidazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-(5,6-dichloro-1H-benzimidazol-2-yl)thiophene-2-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)s1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-(5,6-dichloro-1H-benzimidazol-2-yl)thiophene-2-carboxamide?
The InChIKey is ZQNSTVLGNCPBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4OS/c25-17-12-19-20(13-18(17)26)29-23(28-19)21-6-7-22(32-21)24(31)27-16-8-10-30(11-9-16)14-15-4-2-1-3-5-15/h1-7,12-13,16H,8-11,14H2,(H,27,31)(H,28,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-(5,6-dichloro-1H-benzimidazol-2-yl)thiophene-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-5-(5,6-dichloro-1H-benzimidazol-2-yl)thiophene-2-carboxamide has a molecular weight of 485.44 g/mol, XLogP of 5.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-(5,6-dichloro-1H-benzimidazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 44534282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).