7-[6-(2-methyl-1H-imidazol-5-yl)quinazolin-2-yl]-2-propan-2-yl-3H-benzo[e]benzimidazole

C26H22N6 — CID 134269754

IUPAC7-[6-(2-methyl-1H-imidazol-5-yl)quinazolin-2-yl]-2-propan-2-yl-3H-benzo[e]benzimidazole
SMILESCc1ncc(-c2ccc3nc(-c4ccc5c(ccc6[nH]c(C(C)C)nc65)c4)ncc3c2)[nH]1
InChIInChI=1S/C26H22N6/c1-14(2)25-31-22-9-5-16-10-18(4-7-20(16)24(22)32-25)26-28-12-19-11-17(6-8-21(19)30-26)23-13-27-15(3)29-23/h4-14H,1-3H3,(H,27,29)(H,31,32)
InChIKeyJDSMQOBJUWUDDG-UHFFFAOYSA-N
MW418.50 g/mol
LogP6.15
Rot. Bonds3

About 7-[6-(2-methyl-1H-imidazol-5-yl)quinazolin-2-yl]-2-propan-2-yl-3H-benzo[e]benzimidazole

7-[6-(2-methyl-1H-imidazol-5-yl)quinazolin-2-yl]-2-propan-2-yl-3H-benzo[e]benzimidazole (PubChem CID 134269754) has the molecular formula C26H22N6 and a molecular weight of 418.50 g/mol. Its IUPAC name is 7-[6-(2-methyl-1H-imidazol-5-yl)quinazolin-2-yl]-2-propan-2-yl-3H-benzo[e]benzimidazole.

Molecular Properties

Compound Name7-[6-(2-methyl-1H-imidazol-5-yl)quinazolin-2-yl]-2-propan-2-yl-3H-benzo[e]benzimidazole
PubChem CID134269754
Molecular FormulaC26H22N6
Molecular Weight418.50 g/mol
Exact Mass418.19
IUPAC Name7-[6-(2-methyl-1H-imidazol-5-yl)quinazolin-2-yl]-2-propan-2-yl-3H-benzo[e]benzimidazole
SMILESCc1ncc(-c2ccc3nc(-c4ccc5c(ccc6[nH]c(C(C)C)nc65)c4)ncc3c2)[nH]1
InChIInChI=1S/C26H22N6/c1-14(2)25-31-22-9-5-16-10-18(4-7-20(16)24(22)32-25)26-28-12-19-11-17(6-8-21(19)30-26)23-13-27-15(3)29-23/h4-14H,1-3H3,(H,27,29)(H,31,32)
InChIKeyJDSMQOBJUWUDDG-UHFFFAOYSA-N
XLogP6.15
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-[4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-3H-[1]benzothiolo[2,3-e]benzimidazole
CID 155070442
7-[4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-3H-[1]benzothiolo[2,3-f]benzimidazole
CID 67684723
15-[6-(2-methyl-1H-imidazol-5-yl)-1-benzothiophen-2-yl]-4-propan-2-yl-3,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,10,14,16-octaene
CID 155070766
14-(2-methyl-3H-benzo[e]benzimidazol-7-yl)-4-propan-2-yl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene
CID 67681656
6-(2-methyl-1H-imidazol-5-yl)-1H-quinoxalin-2-one
CID 167066942
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CID 118569264
7-bromo-2-propan-2-yl-3H-imidazo[4,5-c]quinoline
CID 57401291
6-(2-ethyl-1H-imidazol-5-yl)-11-(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-b]pyrazine
CID 146518290
2-propan-2-yl-7-(2-propan-2-yl-3a,4,5,9b-tetrahydro-3H-benzo[e]benzimidazol-7-yl)-3H-benzo[e]benzimidazole
CID 139299188
9-[6-(2-methyl-1H-imidazol-5-yl)naphthalen-2-yl]-17-propan-2-yl-5-thia-18-azatetracyclo[11.5.0.02,6.07,12]octadeca-1(13),2(6),3,7(12),8,10,17-heptaene
CID 147206867
(1S)-1-[7-[2-[(1S)-1-amino-2,2-dimethylpropyl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzo[e]indol-2-yl]-2,2-dimethylpropan-1-amine
CID 147744350
2-methyl-8-[4-(2-methyl-1H-imidazol-5-yl)phenyl]-3H-[1]benzothiolo[2,3-e]benzimidazole
CID 118569086

Frequently Asked Questions

What is the IUPAC name of 7-[6-(2-methyl-1H-imidazol-5-yl)quinazolin-2-yl]-2-propan-2-yl-3H-benzo[e]benzimidazole?
The IUPAC name of 7-[6-(2-methyl-1H-imidazol-5-yl)quinazolin-2-yl]-2-propan-2-yl-3H-benzo[e]benzimidazole (CID 134269754) is 7-[6-(2-methyl-1H-imidazol-5-yl)quinazolin-2-yl]-2-propan-2-yl-3H-benzo[e]benzimidazole.
What is the SMILES notation for 7-[6-(2-methyl-1H-imidazol-5-yl)quinazolin-2-yl]-2-propan-2-yl-3H-benzo[e]benzimidazole?
The canonical SMILES for 7-[6-(2-methyl-1H-imidazol-5-yl)quinazolin-2-yl]-2-propan-2-yl-3H-benzo[e]benzimidazole is Cc1ncc(-c2ccc3nc(-c4ccc5c(ccc6[nH]c(C(C)C)nc65)c4)ncc3c2)[nH]1.
What is the InChIKey of 7-[6-(2-methyl-1H-imidazol-5-yl)quinazolin-2-yl]-2-propan-2-yl-3H-benzo[e]benzimidazole?
The InChIKey is JDSMQOBJUWUDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6/c1-14(2)25-31-22-9-5-16-10-18(4-7-20(16)24(22)32-25)26-28-12-19-11-17(6-8-21(19)30-26)23-13-27-15(3)29-23/h4-14H,1-3H3,(H,27,29)(H,31,32).
What are the key properties of 7-[6-(2-methyl-1H-imidazol-5-yl)quinazolin-2-yl]-2-propan-2-yl-3H-benzo[e]benzimidazole?
7-[6-(2-methyl-1H-imidazol-5-yl)quinazolin-2-yl]-2-propan-2-yl-3H-benzo[e]benzimidazole has a molecular weight of 418.50 g/mol, XLogP of 6.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(2-methyl-1H-imidazol-5-yl)quinazolin-2-yl]-2-propan-2-yl-3H-benzo[e]benzimidazole is sourced from PubChem (CID 134269754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).