1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C27H30N4OS — CID 20883057

IUPAC1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(C)c(Cn2c(N3CCC(C(=O)NCc4cccs4)CC3)nc3ccccc32)c1
InChIInChI=1S/C27H30N4OS/c1-19-9-10-20(2)22(16-19)18-31-25-8-4-3-7-24(25)29-27(31)30-13-11-21(12-14-30)26(32)28-17-23-6-5-15-33-23/h3-10,15-16,21H,11-14,17-18H2,1-2H3,(H,28,32)
InChIKeyFVPGDNMUJUZFSC-UHFFFAOYSA-N
MW458.63 g/mol
LogP5.30
Rot. Bonds6

About 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 20883057) has the molecular formula C27H30N4OS and a molecular weight of 458.63 g/mol. Its IUPAC name is 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID20883057
Molecular FormulaC27H30N4OS
Molecular Weight458.63 g/mol
Exact Mass458.21
IUPAC Name1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(C)c(Cn2c(N3CCC(C(=O)NCc4cccs4)CC3)nc3ccccc32)c1
InChIInChI=1S/C27H30N4OS/c1-19-9-10-20(2)22(16-19)18-31-25-8-4-3-7-24(25)29-27(31)30-13-11-21(12-14-30)26(32)28-17-23-6-5-15-33-23/h3-10,15-16,21H,11-14,17-18H2,1-2H3,(H,28,32)
InChIKeyFVPGDNMUJUZFSC-UHFFFAOYSA-N
XLogP5.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.63
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(thiophen-2-ylmethyl)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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 20883057) is 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is Cc1ccc(C)c(Cn2c(N3CCC(C(=O)NCc4cccs4)CC3)nc3ccccc32)c1.
What is the InChIKey of 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is FVPGDNMUJUZFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4OS/c1-19-9-10-20(2)22(16-19)18-31-25-8-4-3-7-24(25)29-27(31)30-13-11-21(12-14-30)26(32)28-17-23-6-5-15-33-23/h3-10,15-16,21H,11-14,17-18H2,1-2H3,(H,28,32).
What are the key properties of 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 458.63 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 20883057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).