2-methyl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazole

C23H22N4O — CID 134270701

IUPAC2-methyl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazole
SMILESCc1ncc(-c2ccc3c(c2)COc2cc(-c4cnc(C(C)C)[nH]4)ccc2-3)[nH]1
InChIInChI=1S/C23H22N4O/c1-13(2)23-25-11-21(27-23)16-5-7-19-18-6-4-15(20-10-24-14(3)26-20)8-17(18)12-28-22(19)9-16/h4-11,13H,12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyWVGKTCOXKJEXOA-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.46
Rot. Bonds3

About 2-methyl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazole

2-methyl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazole (PubChem CID 134270701) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-methyl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazole.

Molecular Properties

Compound Name2-methyl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazole
PubChem CID134270701
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-methyl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazole
SMILESCc1ncc(-c2ccc3c(c2)COc2cc(-c4cnc(C(C)C)[nH]4)ccc2-3)[nH]1
InChIInChI=1S/C23H22N4O/c1-13(2)23-25-11-21(27-23)16-5-7-19-18-6-4-15(20-10-24-14(3)26-20)8-17(18)12-28-22(19)9-16/h4-11,13H,12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyWVGKTCOXKJEXOA-UHFFFAOYSA-N
XLogP5.46
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-5-[2-(2-propan-2-yl-1H-imidazol-5-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazole
CID 118569255
2-butan-2-yl-6-[13-(2-methyl-1H-imidazol-5-yl)-2,10-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-6-yl]-1H-benzimidazole
CID 67683393
5-[1,10-dimethyl-3-(2-methyl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-2-methyl-1H-imidazole;molecular hydrogen
CID 144977130
1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 123475669
1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 123196921
[5-[1,10-dimethyl-3-(2-methyl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazol-2-yl]phosphane;molecular hydrogen
CID 144977172
1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 43651339
2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol
CID 115031921
2-ethyl-7-(2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazol-7-yl)-1,5-dihydroisochromeno[3,4-d]imidazole
CID 146518339
2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol
CID 116881709
2-methyl-5-[4-(4-methylphenyl)phenyl]-1H-imidazole
CID 118357531
azane;2-methyl-5-(4-methylphenyl)-1H-imidazole
CID 175302356

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazole?
The IUPAC name of 2-methyl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazole (CID 134270701) is 2-methyl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazole.
What is the SMILES notation for 2-methyl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazole?
The canonical SMILES for 2-methyl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazole is Cc1ncc(-c2ccc3c(c2)COc2cc(-c4cnc(C(C)C)[nH]4)ccc2-3)[nH]1.
What is the InChIKey of 2-methyl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazole?
The InChIKey is WVGKTCOXKJEXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-13(2)23-25-11-21(27-23)16-5-7-19-18-6-4-15(20-10-24-14(3)26-20)8-17(18)12-28-22(19)9-16/h4-11,13H,12H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 2-methyl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazole?
2-methyl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazole has a molecular weight of 370.46 g/mol, XLogP of 5.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazole is sourced from PubChem (CID 134270701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).