N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2-fluoroaniline

C12H14FN3 — CID 166242599

IUPACN-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2-fluoroaniline
SMILESCc1nc(CNc2ccccc2F)[nH]c1C
InChIInChI=1S/C12H14FN3/c1-8-9(2)16-12(15-8)7-14-11-6-4-3-5-10(11)13/h3-6,14H,7H2,1-2H3,(H,15,16)
InChIKeySEOBVEKKRIOMPK-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.78
Rot. Bonds3

About N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2-fluoroaniline

N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2-fluoroaniline (PubChem CID 166242599) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2-fluoroaniline
PubChem CID166242599
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC NameN-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2-fluoroaniline
SMILESCc1nc(CNc2ccccc2F)[nH]c1C
InChIInChI=1S/C12H14FN3/c1-8-9(2)16-12(15-8)7-14-11-6-4-3-5-10(11)13/h3-6,14H,7H2,1-2H3,(H,15,16)
InChIKeySEOBVEKKRIOMPK-UHFFFAOYSA-N
XLogP2.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylbenzimidazole
CID 11984
Benzimidazole, 2-butyl-
CID 22122
2-(Trifluoromethyl)-1H-benzimidazole
CID 67560
2-Ethylbenzimidazole
CID 15807
1H-Benzimidazole-2-methanamine
CID 145820
2-tert-Butylbenzimidazole
CID 32366
2-(difluoromethyl)-1H-1,3-benzodiazole
CID 597703
1H-Benzimidazole-2-pentanamine
CID 162387
2-(perfluoropropyl)-1H-benzo[d]imidazole
CID 350591
2-Propyl-1H-benzimidazole
CID 21624
2-(2-methylpropyl)-1H-1,3-benzodiazole
CID 583438
2-(1H-imidazol-2-yl)pyridine
CID 589313

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2-fluoroaniline?
The IUPAC name of N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2-fluoroaniline (CID 166242599) is N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2-fluoroaniline.
What is the SMILES notation for N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2-fluoroaniline?
The canonical SMILES for N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2-fluoroaniline is Cc1nc(CNc2ccccc2F)[nH]c1C.
What is the InChIKey of N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2-fluoroaniline?
The InChIKey is SEOBVEKKRIOMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8-9(2)16-12(15-8)7-14-11-6-4-3-5-10(11)13/h3-6,14H,7H2,1-2H3,(H,15,16).
What are the key properties of N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2-fluoroaniline?
N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2-fluoroaniline has a molecular weight of 219.26 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2-fluoroaniline is sourced from PubChem (CID 166242599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).