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

C20H24N2 — CID 5130379

IUPAC1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCC(C)Cc1ccc(C(C)c2nc3ccccc3n2C)cc1
InChIInChI=1S/C20H24N2/c1-14(2)13-16-9-11-17(12-10-16)15(3)20-21-18-7-5-6-8-19(18)22(20)4/h5-12,14-15H,13H2,1-4H3
InChIKeyGYCKWHDXPVMFDG-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.92
Rot. Bonds4

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

1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (PubChem CID 5130379) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
PubChem CID5130379
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCC(C)Cc1ccc(C(C)c2nc3ccccc3n2C)cc1
InChIInChI=1S/C20H24N2/c1-14(2)13-16-9-11-17(12-10-16)15(3)20-21-18-7-5-6-8-19(18)22(20)4/h5-12,14-15H,13H2,1-4H3
InChIKeyGYCKWHDXPVMFDG-UHFFFAOYSA-N
XLogP4.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-propan-2-ylbenzimidazole
CID 6998169
1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7011097
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-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-2-ylmethyl)benzimidazole
CID 70688122
1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7025660
2-[4-[1-(1-methylbenzimidazol-2-yl)ethyl]phenyl]ethylcarbamic acid
CID 21273442
1-[3-(4-methoxyphenoxy)propyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 16996265
2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole
CID 40592569
methyl 2-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]acetate
CID 16996305

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The IUPAC name of 1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (CID 5130379) is 1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is CC(C)Cc1ccc(C(C)c2nc3ccccc3n2C)cc1.
What is the InChIKey of 1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The InChIKey is GYCKWHDXPVMFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-14(2)13-16-9-11-17(12-10-16)15(3)20-21-18-7-5-6-8-19(18)22(20)4/h5-12,14-15H,13H2,1-4H3.
What are the key properties of 1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole has a molecular weight of 292.43 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is sourced from PubChem (CID 5130379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).