2-[2-(2-fluorophenyl)propan-2-yl]-1H-benzimidazole

C16H15FN2 — CID 149030200

IUPAC2-[2-(2-fluorophenyl)propan-2-yl]-1H-benzimidazole
SMILESCC(C)(c1nc2ccccc2[nH]1)c1ccccc1F
InChIInChI=1S/C16H15FN2/c1-16(2,11-7-3-4-8-12(11)17)15-18-13-9-5-6-10-14(13)19-15/h3-10H,1-2H3,(H,18,19)
InChIKeyQFHHHOMQJBPJEL-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.03
Rot. Bonds2

About 2-[2-(2-fluorophenyl)propan-2-yl]-1H-benzimidazole

2-[2-(2-fluorophenyl)propan-2-yl]-1H-benzimidazole (PubChem CID 149030200) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)propan-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)propan-2-yl]-1H-benzimidazole
PubChem CID149030200
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name2-[2-(2-fluorophenyl)propan-2-yl]-1H-benzimidazole
SMILESCC(C)(c1nc2ccccc2[nH]1)c1ccccc1F
InChIInChI=1S/C16H15FN2/c1-16(2,11-7-3-4-8-12(11)17)15-18-13-9-5-6-10-14(13)19-15/h3-10H,1-2H3,(H,18,19)
InChIKeyQFHHHOMQJBPJEL-UHFFFAOYSA-N
XLogP4.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016
[1-(1H-benzimidazol-2-yl)-1-phosphonoethyl]phosphonic acid;hydrate
CID 87788958
1-amino-1-(1H-benzimidazol-2-yl)ethane-1,2-dithiol
CID 57302546
1H-benzimidazol-2-yl(difluoro)methanesulfonate
CID 5047631
2-methyl-1H-benzimidazole
CID 11984
2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-amine
CID 61266911
2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-ol
CID 64724359
N-tert-butyl-1H-benzimidazol-2-amine
CID 54040021
2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole
CID 168554182
naphthalene-1,5-disulfonic acid;bis(2-(trifluoromethyl)-1H-benzimidazole)
CID 171929578
55,56,57,58,59,60,61,62,63,64,65,66-dodecazatridecacyclo[49.3.1.12,5.16,10.111,14.115,19.120,23.124,28.129,32.133,37.138,41.142,46.147,50]hexahexaconta-1(55),2,4,6(65),7,9,11,13,15(63),16,18,20,22,24(61),25,27,29,31,33,35,37(59),38,40,42,44,46(57),47,49,51,53-triacontaene
CID 102362260
N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 35385353

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)propan-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[2-(2-fluorophenyl)propan-2-yl]-1H-benzimidazole (CID 149030200) is 2-[2-(2-fluorophenyl)propan-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-(2-fluorophenyl)propan-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[2-(2-fluorophenyl)propan-2-yl]-1H-benzimidazole is CC(C)(c1nc2ccccc2[nH]1)c1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)propan-2-yl]-1H-benzimidazole?
The InChIKey is QFHHHOMQJBPJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-16(2,11-7-3-4-8-12(11)17)15-18-13-9-5-6-10-14(13)19-15/h3-10H,1-2H3,(H,18,19).
What are the key properties of 2-[2-(2-fluorophenyl)propan-2-yl]-1H-benzimidazole?
2-[2-(2-fluorophenyl)propan-2-yl]-1H-benzimidazole has a molecular weight of 254.31 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)propan-2-yl]-1H-benzimidazole is sourced from PubChem (CID 149030200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).