1-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidine-4-carboxamide

C25H26N4OS — CID 44524468

IUPAC1-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidine-4-carboxamide
SMILESCc1cccc2[nH]c(-c3ccc(-c4cccc(CN5CCC(C(N)=O)CC5)c4)s3)nc12
InChIInChI=1S/C25H26N4OS/c1-16-4-2-7-20-23(16)28-25(27-20)22-9-8-21(31-22)19-6-3-5-17(14-19)15-29-12-10-18(11-13-29)24(26)30/h2-9,14,18H,10-13,15H2,1H3,(H2,26,30)(H,27,28)
InChIKeyCYWHGGFGINMPKO-UHFFFAOYSA-N
MW430.58 g/mol
LogP4.96
Rot. Bonds5

About 1-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidine-4-carboxamide

1-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 44524468) has the molecular formula C25H26N4OS and a molecular weight of 430.58 g/mol. Its IUPAC name is 1-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidine-4-carboxamide
PubChem CID44524468
Molecular FormulaC25H26N4OS
Molecular Weight430.58 g/mol
Exact Mass430.18
IUPAC Name1-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidine-4-carboxamide
SMILESCc1cccc2[nH]c(-c3ccc(-c4cccc(CN5CCC(C(N)=O)CC5)c4)s3)nc12
InChIInChI=1S/C25H26N4OS/c1-16-4-2-7-20-23(16)28-25(27-20)22-9-8-21(31-22)19-6-3-5-17(14-19)15-29-12-10-18(11-13-29)24(26)30/h2-9,14,18H,10-13,15H2,1H3,(H2,26,30)(H,27,28)
InChIKeyCYWHGGFGINMPKO-UHFFFAOYSA-N
XLogP4.96
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidin-3-ol;2,2,2-trifluoroacetic acid
CID 44526298
2,6-dimethyl-4-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]morpholine;2,2,2-trifluoroacetic acid
CID 44526294
1-[[4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidin-3-ol;2,2,2-trifluoroacetic acid
CID 44526284
N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 44530779
prop-2-enyl 3-[[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methylamino]methyl]pyrrolidine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 44525134
2-[5-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]thiophen-2-yl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44526438
[1-[[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]pyrrolidin-2-yl]methanamine;2,2,2-trifluoroacetic acid
CID 44525026
1-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-thiophen-3-ylurea
CID 44525388
1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide
CID 91837200
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
2-[4-[[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol;2,2,2-trifluoroacetic acid
CID 44525100
1-[(3-carbamothioylphenyl)methyl]piperidine-4-carboxamide
CID 24696058

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidine-4-carboxamide (CID 44524468) is 1-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidine-4-carboxamide is Cc1cccc2[nH]c(-c3ccc(-c4cccc(CN5CCC(C(N)=O)CC5)c4)s3)nc12.
What is the InChIKey of 1-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is CYWHGGFGINMPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4OS/c1-16-4-2-7-20-23(16)28-25(27-20)22-9-8-21(31-22)19-6-3-5-17(14-19)15-29-12-10-18(11-13-29)24(26)30/h2-9,14,18H,10-13,15H2,1H3,(H2,26,30)(H,27,28).
What are the key properties of 1-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidine-4-carboxamide?
1-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 430.58 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 44524468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).