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

C26H31N5 — CID 66869562

IUPAC6-(3-cyclohexyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine
SMILESCC(C)Cn1c(N)nc2ccc(-c3c(-c4ccccc4)ncn3C3CCCCC3)cc21
InChIInChI=1S/C26H31N5/c1-18(2)16-30-23-15-20(13-14-22(23)29-26(30)27)25-24(19-9-5-3-6-10-19)28-17-31(25)21-11-7-4-8-12-21/h3,5-6,9-10,13-15,17-18,21H,4,7-8,11-12,16H2,1-2H3,(H2,27,29)
InChIKeyWCTIQYHMJXFJKR-UHFFFAOYSA-N
MW413.57 g/mol
LogP6.31
Rot. Bonds5

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

6-(3-cyclohexyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine (PubChem CID 66869562) has the molecular formula C26H31N5 and a molecular weight of 413.57 g/mol. Its IUPAC name is 6-(3-cyclohexyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-(3-cyclohexyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine
PubChem CID66869562
Molecular FormulaC26H31N5
Molecular Weight413.57 g/mol
Exact Mass413.26
IUPAC Name6-(3-cyclohexyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine
SMILESCC(C)Cn1c(N)nc2ccc(-c3c(-c4ccccc4)ncn3C3CCCCC3)cc21
InChIInChI=1S/C26H31N5/c1-18(2)16-30-23-15-20(13-14-22(23)29-26(30)27)25-24(19-9-5-3-6-10-19)28-17-31(25)21-11-7-4-8-12-21/h3,5-6,9-10,13-15,17-18,21H,4,7-8,11-12,16H2,1-2H3,(H2,27,29)
InChIKeyWCTIQYHMJXFJKR-UHFFFAOYSA-N
XLogP6.31
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.57
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclohexyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine?
The IUPAC name of 6-(3-cyclohexyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine (CID 66869562) is 6-(3-cyclohexyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 6-(3-cyclohexyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine?
The canonical SMILES for 6-(3-cyclohexyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine is CC(C)Cn1c(N)nc2ccc(-c3c(-c4ccccc4)ncn3C3CCCCC3)cc21.
What is the InChIKey of 6-(3-cyclohexyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine?
The InChIKey is WCTIQYHMJXFJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5/c1-18(2)16-30-23-15-20(13-14-22(23)29-26(30)27)25-24(19-9-5-3-6-10-19)28-17-31(25)21-11-7-4-8-12-21/h3,5-6,9-10,13-15,17-18,21H,4,7-8,11-12,16H2,1-2H3,(H2,27,29).
What are the key properties of 6-(3-cyclohexyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine?
6-(3-cyclohexyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine has a molecular weight of 413.57 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclohexyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 66869562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).