4-[[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile

C19H17F2N3 — CID 82149266

IUPAC4-[[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile
SMILESCC(C)Cc1nc2cc(F)c(F)cc2n1Cc1ccc(C#N)cc1
InChIInChI=1S/C19H17F2N3/c1-12(2)7-19-23-17-8-15(20)16(21)9-18(17)24(19)11-14-5-3-13(10-22)4-6-14/h3-6,8-9,12H,7,11H2,1-2H3
InChIKeyWLAVYYRDDAIEKD-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.43
Rot. Bonds4

About 4-[[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile

4-[[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile (PubChem CID 82149266) has the molecular formula C19H17F2N3 and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-[[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile
PubChem CID82149266
Molecular FormulaC19H17F2N3
Molecular Weight325.36 g/mol
Exact Mass325.14
IUPAC Name4-[[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile
SMILESCC(C)Cc1nc2cc(F)c(F)cc2n1Cc1ccc(C#N)cc1
InChIInChI=1S/C19H17F2N3/c1-12(2)7-19-23-17-8-15(20)16(21)9-18(17)24(19)11-14-5-3-13(10-22)4-6-14/h3-6,8-9,12H,7,11H2,1-2H3
InChIKeyWLAVYYRDDAIEKD-UHFFFAOYSA-N
XLogP4.43
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-tert-butyl-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile
CID 82149265
4-[(5,6-dichloro-2-ethylbenzimidazol-1-yl)methyl]benzonitrile
CID 39158119
1,2-bis(2-methylpropyl)benzimidazole-5-carbonitrile
CID 65040568
4-[(5,6-dichloro-2-propan-2-ylbenzimidazol-1-yl)methyl]benzonitrile
CID 39158131
2-(chloromethyl)-3-[(4-fluorophenyl)methyl]benzimidazole-5-carbonitrile
CID 104715292
[4-[[5,6-dimethyl-2-(2-methylpropyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 94756838
1-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]-2-methylpropan-2-amine
CID 82146166
4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile
CID 82333781
4-[(6-ethyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]benzonitrile
CID 39158183
2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid
CID 62804398
4-[(5,6-difluorobenzotriazol-1-yl)methyl]benzonitrile
CID 82147114
3-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]propanethioamide
CID 82149895

Frequently Asked Questions

What is the IUPAC name of 4-[[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile (CID 82149266) is 4-[[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile is CC(C)Cc1nc2cc(F)c(F)cc2n1Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile?
The InChIKey is WLAVYYRDDAIEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3/c1-12(2)7-19-23-17-8-15(20)16(21)9-18(17)24(19)11-14-5-3-13(10-22)4-6-14/h3-6,8-9,12H,7,11H2,1-2H3.
What are the key properties of 4-[[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile?
4-[[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile has a molecular weight of 325.36 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 82149266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).