1-[(3,5-dimethoxyphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole

C27H30N4O2 — CID 78320650

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole
SMILESCOc1cc(Cn2c(N3CCN(c4ccccc4C)CC3)nc3ccccc32)cc(OC)c1
InChIInChI=1S/C27H30N4O2/c1-20-8-4-6-10-25(20)29-12-14-30(15-13-29)27-28-24-9-5-7-11-26(24)31(27)19-21-16-22(32-2)18-23(17-21)33-3/h4-11,16-18H,12-15,19H2,1-3H3
InChIKeyKETSNDGLYDEUPW-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.74
Rot. Bonds6

About 1-[(3,5-dimethoxyphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole

1-[(3,5-dimethoxyphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole (PubChem CID 78320650) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole
PubChem CID78320650
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole
SMILESCOc1cc(Cn2c(N3CCN(c4ccccc4C)CC3)nc3ccccc32)cc(OC)c1
InChIInChI=1S/C27H30N4O2/c1-20-8-4-6-10-25(20)29-12-14-30(15-13-29)27-28-24-9-5-7-11-26(24)31(27)19-21-16-22(32-2)18-23(17-21)33-3/h4-11,16-18H,12-15,19H2,1-3H3
InChIKeyKETSNDGLYDEUPW-UHFFFAOYSA-N
XLogP4.74
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole
CID 90350029
1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71648335
1-[(4-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 791315
1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium
CID 6938160
2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 20930584
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-N-(oxan-4-ylmethyl)piperidin-4-amine
CID 45270330
1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole
CID 20930586
2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole
CID 20930563
2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-5-[[2-[6-[5-[[2-[6-[1-[(3,5-dimethoxyphenyl)methyl]benzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazol-2-yl]-2-pyridinyl]-1-ethylbenzimidazol-5-yl]methyl]-1-ethylbenzimidazole
CID 101336852
1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71634624
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone
CID 20882871

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole (CID 78320650) is 1-[(3,5-dimethoxyphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole is COc1cc(Cn2c(N3CCN(c4ccccc4C)CC3)nc3ccccc32)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole?
The InChIKey is KETSNDGLYDEUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-20-8-4-6-10-25(20)29-12-14-30(15-13-29)27-28-24-9-5-7-11-26(24)31(27)19-21-16-22(32-2)18-23(17-21)33-3/h4-11,16-18H,12-15,19H2,1-3H3.
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole?
1-[(3,5-dimethoxyphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole has a molecular weight of 442.56 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole is sourced from PubChem (CID 78320650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).