1-butyl-N-(2-chloro-4-iodophenyl)imidazol-2-amine

C13H15ClIN3 — CID 107605158

IUPAC1-butyl-N-(2-chloro-4-iodophenyl)imidazol-2-amine
SMILESCCCCn1ccnc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C13H15ClIN3/c1-2-3-7-18-8-6-16-13(18)17-12-5-4-10(15)9-11(12)14/h4-6,8-9H,2-3,7H2,1H3,(H,16,17)
InChIKeyMDVSJDKTCTVZBX-UHFFFAOYSA-N
MW375.64 g/mol
LogP4.68
Rot. Bonds5

About 1-butyl-N-(2-chloro-4-iodophenyl)imidazol-2-amine

1-butyl-N-(2-chloro-4-iodophenyl)imidazol-2-amine (PubChem CID 107605158) has the molecular formula C13H15ClIN3 and a molecular weight of 375.64 g/mol. Its IUPAC name is 1-butyl-N-(2-chloro-4-iodophenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(2-chloro-4-iodophenyl)imidazol-2-amine
PubChem CID107605158
Molecular FormulaC13H15ClIN3
Molecular Weight375.64 g/mol
Exact Mass375.00
IUPAC Name1-butyl-N-(2-chloro-4-iodophenyl)imidazol-2-amine
SMILESCCCCn1ccnc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C13H15ClIN3/c1-2-3-7-18-8-6-16-13(18)17-12-5-4-10(15)9-11(12)14/h4-6,8-9H,2-3,7H2,1H3,(H,16,17)
InChIKeyMDVSJDKTCTVZBX-UHFFFAOYSA-N
XLogP4.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.64
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine
CID 106554378
1-butyl-N-(2-propylphenyl)imidazol-2-amine
CID 106567389
N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine
CID 107628372
N-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine
CID 107532048
2-chloro-N-[(1-ethylimidazol-2-yl)methyl]-4-iodoaniline
CID 55064679
1-butyl-N-(2-ethoxyphenyl)imidazol-2-amine
CID 106583757
1-butyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557363
N-(2-chloro-4-iodophenyl)-1-cyclopentylimidazol-2-amine
CID 107605190
N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine
CID 107618171
N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine
CID 106569080
N-(3,4-dichlorophenyl)-1-propylimidazol-2-amine
CID 106557576
N-(2,4-dichlorophenyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106556363

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-chloro-4-iodophenyl)imidazol-2-amine?
The IUPAC name of 1-butyl-N-(2-chloro-4-iodophenyl)imidazol-2-amine (CID 107605158) is 1-butyl-N-(2-chloro-4-iodophenyl)imidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(2-chloro-4-iodophenyl)imidazol-2-amine?
The canonical SMILES for 1-butyl-N-(2-chloro-4-iodophenyl)imidazol-2-amine is CCCCn1ccnc1Nc1ccc(I)cc1Cl.
What is the InChIKey of 1-butyl-N-(2-chloro-4-iodophenyl)imidazol-2-amine?
The InChIKey is MDVSJDKTCTVZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClIN3/c1-2-3-7-18-8-6-16-13(18)17-12-5-4-10(15)9-11(12)14/h4-6,8-9H,2-3,7H2,1H3,(H,16,17).
What are the key properties of 1-butyl-N-(2-chloro-4-iodophenyl)imidazol-2-amine?
1-butyl-N-(2-chloro-4-iodophenyl)imidazol-2-amine has a molecular weight of 375.64 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-chloro-4-iodophenyl)imidazol-2-amine is sourced from PubChem (CID 107605158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).