5-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-1-[(4-methylphenyl)methyl]pyridin-2-one

C35H39N5O — CID 68577479

IUPAC5-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-1-[(4-methylphenyl)methyl]pyridin-2-one
SMILESCc1ccc(Cn2cc(CN3CCN(c4cccc5[nH]c(-c6ccc(C(C)(C)C)cc6)nc45)CC3)ccc2=O)cc1
InChIInChI=1S/C35H39N5O/c1-25-8-10-26(11-9-25)23-40-24-27(12-17-32(40)41)22-38-18-20-39(21-19-38)31-7-5-6-30-33(31)37-34(36-30)28-13-15-29(16-14-28)35(2,3)4/h5-17,24H,18-23H2,1-4H3,(H,36,37)
InChIKeyDTQZYLWPMHURTL-UHFFFAOYSA-N
MW545.73 g/mol
LogP6.37
Rot. Bonds6

About 5-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-1-[(4-methylphenyl)methyl]pyridin-2-one

5-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-1-[(4-methylphenyl)methyl]pyridin-2-one (PubChem CID 68577479) has the molecular formula C35H39N5O and a molecular weight of 545.73 g/mol. Its IUPAC name is 5-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-1-[(4-methylphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-1-[(4-methylphenyl)methyl]pyridin-2-one
PubChem CID68577479
Molecular FormulaC35H39N5O
Molecular Weight545.73 g/mol
Exact Mass545.32
IUPAC Name5-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-1-[(4-methylphenyl)methyl]pyridin-2-one
SMILESCc1ccc(Cn2cc(CN3CCN(c4cccc5[nH]c(-c6ccc(C(C)(C)C)cc6)nc45)CC3)ccc2=O)cc1
InChIInChI=1S/C35H39N5O/c1-25-8-10-26(11-9-25)23-40-24-27(12-17-32(40)41)22-38-18-20-39(21-19-38)31-7-5-6-30-33(31)37-34(36-30)28-13-15-29(16-14-28)35(2,3)4/h5-17,24H,18-23H2,1-4H3,(H,36,37)
InChIKeyDTQZYLWPMHURTL-UHFFFAOYSA-N
XLogP6.37
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.73
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-1-[(4-methylphenyl)methyl]pyridin-2-one 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

2-(4-tert-butylphenyl)-4-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-1H-benzimidazole
CID 44573507
2-(4-tert-butylphenyl)-4-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]-1H-benzimidazole
CID 44573509
5-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-1-prop-2-enylpyrimidine-2,4-dione
CID 68579121
2-(4-tert-butylphenyl)-4-[4-[(1,5-dimethylimidazol-4-yl)methyl]piperazin-1-yl]-1H-benzimidazole
CID 68577969
2-[4-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-2-methylimidazol-1-yl]-N-methylacetamide
CID 68577347
6-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]pyridine-2-carboxamide
CID 68577276
2-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 11634096
2-(4-tert-butylphenyl)-4-[4-[(2-ethyl-5-methyl-1-propylimidazol-4-yl)methyl]piperazin-1-yl]-1H-benzimidazole
CID 44573277
6-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-4-(2-morpholin-4-ylethyl)-1H-quinoxaline-2,3-dione
CID 68577703
2-(4-tert-butylphenyl)-4-piperazin-1-yl-1H-benzimidazole;ethane
CID 143169118
2-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-6-nitroaniline
CID 58592700
2-[4-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-2-methylimidazol-1-yl]-N-pyridin-4-ylacetamide
CID 11555911

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-1-[(4-methylphenyl)methyl]pyridin-2-one?
The IUPAC name of 5-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-1-[(4-methylphenyl)methyl]pyridin-2-one (CID 68577479) is 5-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-1-[(4-methylphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-1-[(4-methylphenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-1-[(4-methylphenyl)methyl]pyridin-2-one is Cc1ccc(Cn2cc(CN3CCN(c4cccc5[nH]c(-c6ccc(C(C)(C)C)cc6)nc45)CC3)ccc2=O)cc1.
What is the InChIKey of 5-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-1-[(4-methylphenyl)methyl]pyridin-2-one?
The InChIKey is DTQZYLWPMHURTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N5O/c1-25-8-10-26(11-9-25)23-40-24-27(12-17-32(40)41)22-38-18-20-39(21-19-38)31-7-5-6-30-33(31)37-34(36-30)28-13-15-29(16-14-28)35(2,3)4/h5-17,24H,18-23H2,1-4H3,(H,36,37).
What are the key properties of 5-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-1-[(4-methylphenyl)methyl]pyridin-2-one?
5-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-1-[(4-methylphenyl)methyl]pyridin-2-one has a molecular weight of 545.73 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-1-[(4-methylphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 68577479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).