1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole

C27H30N2 — CID 7025660

IUPAC1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCc1cccc(Cn2c([C@H](C)c3ccc(CC(C)C)cc3)nc3ccccc32)c1
InChIInChI=1S/C27H30N2/c1-19(2)16-22-12-14-24(15-13-22)21(4)27-28-25-10-5-6-11-26(25)29(27)18-23-9-7-8-20(3)17-23/h5-15,17,19,21H,16,18H2,1-4H3/t21-/m1/s1
InChIKeyMZGGOCQFZDVILC-OAQYLSRUSA-N
MW382.55 g/mol
LogP6.74
Rot. Bonds6

About 1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole

1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (PubChem CID 7025660) has the molecular formula C27H30N2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
PubChem CID7025660
Molecular FormulaC27H30N2
Molecular Weight382.55 g/mol
Exact Mass382.24
IUPAC Name1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCc1cccc(Cn2c([C@H](C)c3ccc(CC(C)C)cc3)nc3ccccc32)c1
InChIInChI=1S/C27H30N2/c1-19(2)16-22-12-14-24(15-13-22)21(4)27-28-25-10-5-6-11-26(25)29(27)18-23-9-7-8-20(3)17-23/h5-15,17,19,21H,16,18H2,1-4H3/t21-/m1/s1
InChIKeyMZGGOCQFZDVILC-OAQYLSRUSA-N
XLogP6.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-diethoxyphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 70696453
2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-2-ylmethyl)benzimidazole
CID 70688122
1-[(2-methoxyphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 3269315
1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7011097
1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 5130379
2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole
CID 40592569
(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 972889
2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole
CID 94366022
1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7005495
1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 94366017
1-hexyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 3851676
2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-propan-2-ylbenzimidazole
CID 6998169

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The IUPAC name of 1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (CID 7025660) is 1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is Cc1cccc(Cn2c([C@H](C)c3ccc(CC(C)C)cc3)nc3ccccc32)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The InChIKey is MZGGOCQFZDVILC-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H30N2/c1-19(2)16-22-12-14-24(15-13-22)21(4)27-28-25-10-5-6-11-26(25)29(27)18-23-9-7-8-20(3)17-23/h5-15,17,19,21H,16,18H2,1-4H3/t21-/m1/s1.
What are the key properties of 1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole has a molecular weight of 382.55 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is sourced from PubChem (CID 7025660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).