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

C26H28N4OS — CID 44534776

IUPACN-(1-benzylpiperidin-4-yl)-5-(5,6-dimethyl-1H-benzimidazol-2-yl)thiophene-2-carboxamide
SMILESCc1cc2nc(-c3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)s3)[nH]c2cc1C
InChIInChI=1S/C26H28N4OS/c1-17-14-21-22(15-18(17)2)29-25(28-21)23-8-9-24(32-23)26(31)27-20-10-12-30(13-11-20)16-19-6-4-3-5-7-19/h3-9,14-15,20H,10-13,16H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyUKYRMUUEHZUQSP-UHFFFAOYSA-N
MW444.60 g/mol
LogP5.30
Rot. Bonds5

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

N-(1-benzylpiperidin-4-yl)-5-(5,6-dimethyl-1H-benzimidazol-2-yl)thiophene-2-carboxamide (PubChem CID 44534776) has the molecular formula C26H28N4OS and a molecular weight of 444.60 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-(5,6-dimethyl-1H-benzimidazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-(5,6-dimethyl-1H-benzimidazol-2-yl)thiophene-2-carboxamide
PubChem CID44534776
Molecular FormulaC26H28N4OS
Molecular Weight444.60 g/mol
Exact Mass444.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-(5,6-dimethyl-1H-benzimidazol-2-yl)thiophene-2-carboxamide
SMILESCc1cc2nc(-c3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)s3)[nH]c2cc1C
InChIInChI=1S/C26H28N4OS/c1-17-14-21-22(15-18(17)2)29-25(28-21)23-8-9-24(32-23)26(31)27-20-10-12-30(13-11-20)16-19-6-4-3-5-7-19/h3-9,14-15,20H,10-13,16H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyUKYRMUUEHZUQSP-UHFFFAOYSA-N
XLogP5.30
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.60
LogP ≤ 55.30
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-dimethyl-1H-benzimidazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-(5,6-dimethyl-1H-benzimidazol-2-yl)thiophene-2-carboxamide (CID 44534776) is N-(1-benzylpiperidin-4-yl)-5-(5,6-dimethyl-1H-benzimidazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-(5,6-dimethyl-1H-benzimidazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-(5,6-dimethyl-1H-benzimidazol-2-yl)thiophene-2-carboxamide is Cc1cc2nc(-c3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)s3)[nH]c2cc1C.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-(5,6-dimethyl-1H-benzimidazol-2-yl)thiophene-2-carboxamide?
The InChIKey is UKYRMUUEHZUQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4OS/c1-17-14-21-22(15-18(17)2)29-25(28-21)23-8-9-24(32-23)26(31)27-20-10-12-30(13-11-20)16-19-6-4-3-5-7-19/h3-9,14-15,20H,10-13,16H2,1-2H3,(H,27,31)(H,28,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-(5,6-dimethyl-1H-benzimidazol-2-yl)thiophene-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-5-(5,6-dimethyl-1H-benzimidazol-2-yl)thiophene-2-carboxamide has a molecular weight of 444.60 g/mol, XLogP of 5.30, 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-dimethyl-1H-benzimidazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 44534776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).