7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazole

C28H25FN4 — CID 67681408

IUPAC7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazole
SMILESCc1ncc(-c2ccc(-c3ccc4c(c3)CCc3c-4ccc4[nH]c(C(C)C)nc34)cc2F)[nH]1
InChIInChI=1S/C28H25FN4/c1-15(2)28-32-25-11-10-21-20-7-4-17(12-19(20)6-8-22(21)27(25)33-28)18-5-9-23(24(29)13-18)26-14-30-16(3)31-26/h4-5,7,9-15H,6,8H2,1-3H3,(H,30,31)(H,32,33)
InChIKeyAAASWRWXDGKOOR-UHFFFAOYSA-N
MW436.53 g/mol
LogP6.96
Rot. Bonds3

About 7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazole

7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazole (PubChem CID 67681408) has the molecular formula C28H25FN4 and a molecular weight of 436.53 g/mol. Its IUPAC name is 7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazole.

Molecular Properties

Compound Name7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazole
PubChem CID67681408
Molecular FormulaC28H25FN4
Molecular Weight436.53 g/mol
Exact Mass436.21
IUPAC Name7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazole
SMILESCc1ncc(-c2ccc(-c3ccc4c(c3)CCc3c-4ccc4[nH]c(C(C)C)nc34)cc2F)[nH]1
InChIInChI=1S/C28H25FN4/c1-15(2)28-32-25-11-10-21-20-7-4-17(12-19(20)6-8-22(21)27(25)33-28)18-5-9-23(24(29)13-18)26-14-30-16(3)31-26/h4-5,7,9-15H,6,8H2,1-3H3,(H,30,31)(H,32,33)
InChIKeyAAASWRWXDGKOOR-UHFFFAOYSA-N
XLogP6.96
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.53
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazole?
The IUPAC name of 7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazole (CID 67681408) is 7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazole.
What is the SMILES notation for 7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazole?
The canonical SMILES for 7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazole is Cc1ncc(-c2ccc(-c3ccc4c(c3)CCc3c-4ccc4[nH]c(C(C)C)nc34)cc2F)[nH]1.
What is the InChIKey of 7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazole?
The InChIKey is AAASWRWXDGKOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4/c1-15(2)28-32-25-11-10-21-20-7-4-17(12-19(20)6-8-22(21)27(25)33-28)18-5-9-23(24(29)13-18)26-14-30-16(3)31-26/h4-5,7,9-15H,6,8H2,1-3H3,(H,30,31)(H,32,33).
What are the key properties of 7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazole?
7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazole has a molecular weight of 436.53 g/mol, XLogP of 6.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazole is sourced from PubChem (CID 67681408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).