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

C25H27N3 — CID 70681751

IUPAC2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-4-ylmethyl)benzimidazole
SMILESCC(C)Cc1ccc(C(C)c2nc3ccccc3n2Cc2ccncc2)cc1
InChIInChI=1S/C25H27N3/c1-18(2)16-20-8-10-22(11-9-20)19(3)25-27-23-6-4-5-7-24(23)28(25)17-21-12-14-26-15-13-21/h4-15,18-19H,16-17H2,1-3H3
InChIKeySJMXTLCSHCXWMT-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.83
Rot. Bonds6

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

2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-4-ylmethyl)benzimidazole (PubChem CID 70681751) has the molecular formula C25H27N3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-4-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-4-ylmethyl)benzimidazole
PubChem CID70681751
Molecular FormulaC25H27N3
Molecular Weight369.51 g/mol
Exact Mass369.22
IUPAC Name2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-4-ylmethyl)benzimidazole
SMILESCC(C)Cc1ccc(C(C)c2nc3ccccc3n2Cc2ccncc2)cc1
InChIInChI=1S/C25H27N3/c1-18(2)16-20-8-10-22(11-9-20)19(3)25-27-23-6-4-5-7-24(23)28(25)17-21-12-14-26-15-13-21/h4-15,18-19H,16-17H2,1-3H3
InChIKeySJMXTLCSHCXWMT-UHFFFAOYSA-N
XLogP5.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-4-ylmethyl)benzimidazole?
The IUPAC name of 2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-4-ylmethyl)benzimidazole (CID 70681751) is 2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-4-ylmethyl)benzimidazole.
What is the SMILES notation for 2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-4-ylmethyl)benzimidazole?
The canonical SMILES for 2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-4-ylmethyl)benzimidazole is CC(C)Cc1ccc(C(C)c2nc3ccccc3n2Cc2ccncc2)cc1.
What is the InChIKey of 2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-4-ylmethyl)benzimidazole?
The InChIKey is SJMXTLCSHCXWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3/c1-18(2)16-20-8-10-22(11-9-20)19(3)25-27-23-6-4-5-7-24(23)28(25)17-21-12-14-26-15-13-21/h4-15,18-19H,16-17H2,1-3H3.
What are the key properties of 2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-4-ylmethyl)benzimidazole?
2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-4-ylmethyl)benzimidazole has a molecular weight of 369.51 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-4-ylmethyl)benzimidazole is sourced from PubChem (CID 70681751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).