2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-iodoaniline

C11H9ClF2IN3 — CID 113253408

IUPAC2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-iodoaniline
SMILESFC(F)n1ccnc1CNc1ccc(I)cc1Cl
InChIInChI=1S/C11H9ClF2IN3/c12-8-5-7(15)1-2-9(8)17-6-10-16-3-4-18(10)11(13)14/h1-5,11,17H,6H2
InChIKeyNLPBCZMTVXZDRQ-UHFFFAOYSA-N
MW383.57 g/mol
LogP4.15
Rot. Bonds4

About 2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-iodoaniline

2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-iodoaniline (PubChem CID 113253408) has the molecular formula C11H9ClF2IN3 and a molecular weight of 383.57 g/mol. Its IUPAC name is 2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-iodoaniline.

Molecular Properties

Compound Name2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-iodoaniline
PubChem CID113253408
Molecular FormulaC11H9ClF2IN3
Molecular Weight383.57 g/mol
Exact Mass382.95
IUPAC Name2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-iodoaniline
SMILESFC(F)n1ccnc1CNc1ccc(I)cc1Cl
InChIInChI=1S/C11H9ClF2IN3/c12-8-5-7(15)1-2-9(8)17-6-10-16-3-4-18(10)11(13)14/h1-5,11,17H,6H2
InChIKeyNLPBCZMTVXZDRQ-UHFFFAOYSA-N
XLogP4.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.57
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-iodoaniline?
The IUPAC name of 2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-iodoaniline (CID 113253408) is 2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-iodoaniline.
What is the SMILES notation for 2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-iodoaniline?
The canonical SMILES for 2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-iodoaniline is FC(F)n1ccnc1CNc1ccc(I)cc1Cl.
What is the InChIKey of 2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-iodoaniline?
The InChIKey is NLPBCZMTVXZDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2IN3/c12-8-5-7(15)1-2-9(8)17-6-10-16-3-4-18(10)11(13)14/h1-5,11,17H,6H2.
What are the key properties of 2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-iodoaniline?
2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-iodoaniline has a molecular weight of 383.57 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-iodoaniline is sourced from PubChem (CID 113253408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).