[5,6-dimethyl-2-(3-phenylpropyl)-1H-benzimidazol-4-yl]-phenylmethanone

C25H24N2O — CID 22734822

IUPAC[5,6-dimethyl-2-(3-phenylpropyl)-1H-benzimidazol-4-yl]-phenylmethanone
SMILESCc1cc2[nH]c(CCCc3ccccc3)nc2c(C(=O)c2ccccc2)c1C
InChIInChI=1S/C25H24N2O/c1-17-16-21-24(23(18(17)2)25(28)20-13-7-4-8-14-20)27-22(26-21)15-9-12-19-10-5-3-6-11-19/h3-8,10-11,13-14,16H,9,12,15H2,1-2H3,(H,26,27)
InChIKeyYIHJLGGFLLWPMR-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.59
Rot. Bonds6

About [5,6-dimethyl-2-(3-phenylpropyl)-1H-benzimidazol-4-yl]-phenylmethanone

[5,6-dimethyl-2-(3-phenylpropyl)-1H-benzimidazol-4-yl]-phenylmethanone (PubChem CID 22734822) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is [5,6-dimethyl-2-(3-phenylpropyl)-1H-benzimidazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[5,6-dimethyl-2-(3-phenylpropyl)-1H-benzimidazol-4-yl]-phenylmethanone
PubChem CID22734822
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name[5,6-dimethyl-2-(3-phenylpropyl)-1H-benzimidazol-4-yl]-phenylmethanone
SMILESCc1cc2[nH]c(CCCc3ccccc3)nc2c(C(=O)c2ccccc2)c1C
InChIInChI=1S/C25H24N2O/c1-17-16-21-24(23(18(17)2)25(28)20-13-7-4-8-14-20)27-22(26-21)15-9-12-19-10-5-3-6-11-19/h3-8,10-11,13-14,16H,9,12,15H2,1-2H3,(H,26,27)
InChIKeyYIHJLGGFLLWPMR-UHFFFAOYSA-N
XLogP5.59
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5,6-dimethyl-2-(3-phenylpropyl)-1H-benzimidazol-4-yl]-phenylmethanone?
The IUPAC name of [5,6-dimethyl-2-(3-phenylpropyl)-1H-benzimidazol-4-yl]-phenylmethanone (CID 22734822) is [5,6-dimethyl-2-(3-phenylpropyl)-1H-benzimidazol-4-yl]-phenylmethanone.
What is the SMILES notation for [5,6-dimethyl-2-(3-phenylpropyl)-1H-benzimidazol-4-yl]-phenylmethanone?
The canonical SMILES for [5,6-dimethyl-2-(3-phenylpropyl)-1H-benzimidazol-4-yl]-phenylmethanone is Cc1cc2[nH]c(CCCc3ccccc3)nc2c(C(=O)c2ccccc2)c1C.
What is the InChIKey of [5,6-dimethyl-2-(3-phenylpropyl)-1H-benzimidazol-4-yl]-phenylmethanone?
The InChIKey is YIHJLGGFLLWPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-17-16-21-24(23(18(17)2)25(28)20-13-7-4-8-14-20)27-22(26-21)15-9-12-19-10-5-3-6-11-19/h3-8,10-11,13-14,16H,9,12,15H2,1-2H3,(H,26,27).
What are the key properties of [5,6-dimethyl-2-(3-phenylpropyl)-1H-benzimidazol-4-yl]-phenylmethanone?
[5,6-dimethyl-2-(3-phenylpropyl)-1H-benzimidazol-4-yl]-phenylmethanone has a molecular weight of 368.48 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethyl-2-(3-phenylpropyl)-1H-benzimidazol-4-yl]-phenylmethanone is sourced from PubChem (CID 22734822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).