6-(3-methyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine

C21H23N5 — CID 66869292

IUPAC6-(3-methyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine
SMILESCC(C)Cn1c(N)nc2ccc(-c3c(-c4ccccc4)ncn3C)cc21
InChIInChI=1S/C21H23N5/c1-14(2)12-26-18-11-16(9-10-17(18)24-21(26)22)20-19(23-13-25(20)3)15-7-5-4-6-8-15/h4-11,13-14H,12H2,1-3H3,(H2,22,24)
InChIKeyHDWQJTXDAZYSEP-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.34
Rot. Bonds4

About 6-(3-methyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine

6-(3-methyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine (PubChem CID 66869292) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 6-(3-methyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-(3-methyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine
PubChem CID66869292
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name6-(3-methyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine
SMILESCC(C)Cn1c(N)nc2ccc(-c3c(-c4ccccc4)ncn3C)cc21
InChIInChI=1S/C21H23N5/c1-14(2)12-26-18-11-16(9-10-17(18)24-21(26)22)20-19(23-13-25(20)3)15-7-5-4-6-8-15/h4-11,13-14H,12H2,1-3H3,(H2,22,24)
InChIKeyHDWQJTXDAZYSEP-UHFFFAOYSA-N
XLogP4.34
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine?
The IUPAC name of 6-(3-methyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine (CID 66869292) is 6-(3-methyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 6-(3-methyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine?
The canonical SMILES for 6-(3-methyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine is CC(C)Cn1c(N)nc2ccc(-c3c(-c4ccccc4)ncn3C)cc21.
What is the InChIKey of 6-(3-methyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine?
The InChIKey is HDWQJTXDAZYSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-14(2)12-26-18-11-16(9-10-17(18)24-21(26)22)20-19(23-13-25(20)3)15-7-5-4-6-8-15/h4-11,13-14H,12H2,1-3H3,(H2,22,24).
What are the key properties of 6-(3-methyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine?
6-(3-methyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine has a molecular weight of 345.45 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 66869292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).