N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-chloro-4,6-difluoroaniline

C14H15Cl2F2N3 — CID 83073048

IUPACN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-chloro-4,6-difluoroaniline
SMILESCCCCc1nc(Cl)c(CNc2c(F)cc(F)cc2Cl)[nH]1
InChIInChI=1S/C14H15Cl2F2N3/c1-2-3-4-12-20-11(14(16)21-12)7-19-13-9(15)5-8(17)6-10(13)18/h5-6,19H,2-4,7H2,1H3,(H,20,21)
InChIKeyOZGKFCHTWYBVIC-UHFFFAOYSA-N
MW334.20 g/mol
LogP4.95
Rot. Bonds6

About N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-chloro-4,6-difluoroaniline

N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-chloro-4,6-difluoroaniline (PubChem CID 83073048) has the molecular formula C14H15Cl2F2N3 and a molecular weight of 334.20 g/mol. Its IUPAC name is N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-chloro-4,6-difluoroaniline.

Molecular Properties

Compound NameN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-chloro-4,6-difluoroaniline
PubChem CID83073048
Molecular FormulaC14H15Cl2F2N3
Molecular Weight334.20 g/mol
Exact Mass333.06
IUPAC NameN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-chloro-4,6-difluoroaniline
SMILESCCCCc1nc(Cl)c(CNc2c(F)cc(F)cc2Cl)[nH]1
InChIInChI=1S/C14H15Cl2F2N3/c1-2-3-4-12-20-11(14(16)21-12)7-19-13-9(15)5-8(17)6-10(13)18/h5-6,19H,2-4,7H2,1H3,(H,20,21)
InChIKeyOZGKFCHTWYBVIC-UHFFFAOYSA-N
XLogP4.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-chloro-4,6-difluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2,4-difluoroaniline
CID 102852979
3-bromo-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-fluoroaniline
CID 104775956
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-chloro-3-methoxyaniline
CID 107272155
(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350387
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]thiadiazol-5-amine
CID 107649352
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719572
4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol
CID 114331440
2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline
CID 83081720
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210296
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-methylpiperazin-1-amine
CID 83010483
2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 83082033
2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole
CID 58592722

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-chloro-4,6-difluoroaniline?
The IUPAC name of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-chloro-4,6-difluoroaniline (CID 83073048) is N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-chloro-4,6-difluoroaniline.
What is the SMILES notation for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-chloro-4,6-difluoroaniline?
The canonical SMILES for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-chloro-4,6-difluoroaniline is CCCCc1nc(Cl)c(CNc2c(F)cc(F)cc2Cl)[nH]1.
What is the InChIKey of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-chloro-4,6-difluoroaniline?
The InChIKey is OZGKFCHTWYBVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2F2N3/c1-2-3-4-12-20-11(14(16)21-12)7-19-13-9(15)5-8(17)6-10(13)18/h5-6,19H,2-4,7H2,1H3,(H,20,21).
What are the key properties of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-chloro-4,6-difluoroaniline?
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-chloro-4,6-difluoroaniline has a molecular weight of 334.20 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-chloro-4,6-difluoroaniline is sourced from PubChem (CID 83073048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).