6-[5-(4-fluorophenyl)hexa-1,5-dien-2-yl]-1H-benzimidazole

C19H17FN2 — CID 139563150

IUPAC6-[5-(4-fluorophenyl)hexa-1,5-dien-2-yl]-1H-benzimidazole
SMILESC=C(CCC(=C)c1ccc2nc[nH]c2c1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2/c1-13(15-5-8-17(20)9-6-15)3-4-14(2)16-7-10-18-19(11-16)22-12-21-18/h5-12H,1-4H2,(H,21,22)
InChIKeySKYDBRCSHOVKDG-UHFFFAOYSA-N
MW292.36 g/mol
LogP5.21
Rot. Bonds5

About 6-[5-(4-fluorophenyl)hexa-1,5-dien-2-yl]-1H-benzimidazole

6-[5-(4-fluorophenyl)hexa-1,5-dien-2-yl]-1H-benzimidazole (PubChem CID 139563150) has the molecular formula C19H17FN2 and a molecular weight of 292.36 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)hexa-1,5-dien-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)hexa-1,5-dien-2-yl]-1H-benzimidazole
PubChem CID139563150
Molecular FormulaC19H17FN2
Molecular Weight292.36 g/mol
Exact Mass292.14
IUPAC Name6-[5-(4-fluorophenyl)hexa-1,5-dien-2-yl]-1H-benzimidazole
SMILESC=C(CCC(=C)c1ccc2nc[nH]c2c1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2/c1-13(15-5-8-17(20)9-6-15)3-4-14(2)16-7-10-18-19(11-16)22-12-21-18/h5-12H,1-4H2,(H,21,22)
InChIKeySKYDBRCSHOVKDG-UHFFFAOYSA-N
XLogP5.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.36
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(3H-benzimidazol-5-yl)methanone
CID 71332789
1-(3H-benzimidazol-5-yl)-4-phenylbutane-1,4-dione
CID 90354958
1-(3H-benzimidazol-5-yl)-3-chloropropan-1-one
CID 82052582
1-(3H-benzimidazol-5-yl)-3-sulfanylpropan-1-one
CID 116830801
N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide
CID 43397751
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 167876967
N'-amino-3H-benzimidazole-5-carboximidamide
CID 58433226
2-(3H-benzimidazole-5-carbonyl)butanoic acid
CID 116922875
4-(3H-benzimidazol-5-yl)-4-oxobutanenitrile
CID 116862119
1-(3H-benzimidazol-5-yl)-4-(4-methylcyclohepta-1,3,5,6-tetraen-1-yl)pent-4-en-1-imine
CID 176547958
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
CID 110785494
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide
CID 111110998

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)hexa-1,5-dien-2-yl]-1H-benzimidazole?
The IUPAC name of 6-[5-(4-fluorophenyl)hexa-1,5-dien-2-yl]-1H-benzimidazole (CID 139563150) is 6-[5-(4-fluorophenyl)hexa-1,5-dien-2-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[5-(4-fluorophenyl)hexa-1,5-dien-2-yl]-1H-benzimidazole?
The canonical SMILES for 6-[5-(4-fluorophenyl)hexa-1,5-dien-2-yl]-1H-benzimidazole is C=C(CCC(=C)c1ccc2nc[nH]c2c1)c1ccc(F)cc1.
What is the InChIKey of 6-[5-(4-fluorophenyl)hexa-1,5-dien-2-yl]-1H-benzimidazole?
The InChIKey is SKYDBRCSHOVKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2/c1-13(15-5-8-17(20)9-6-15)3-4-14(2)16-7-10-18-19(11-16)22-12-21-18/h5-12H,1-4H2,(H,21,22).
What are the key properties of 6-[5-(4-fluorophenyl)hexa-1,5-dien-2-yl]-1H-benzimidazole?
6-[5-(4-fluorophenyl)hexa-1,5-dien-2-yl]-1H-benzimidazole has a molecular weight of 292.36 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)hexa-1,5-dien-2-yl]-1H-benzimidazole is sourced from PubChem (CID 139563150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).