1-(2-chloro-5-iodophenyl)-N-cyclopropylimidazol-2-amine

C12H11ClIN3 — CID 114261820

IUPAC1-(2-chloro-5-iodophenyl)-N-cyclopropylimidazol-2-amine
SMILESClc1ccc(I)cc1-n1ccnc1NC1CC1
InChIInChI=1S/C12H11ClIN3/c13-10-4-1-8(14)7-11(10)17-6-5-15-12(17)16-9-2-3-9/h1,4-7,9H,2-3H2,(H,15,16)
InChIKeyTWTHUIINHQDSJT-UHFFFAOYSA-N
MW359.60 g/mol
LogP3.70
Rot. Bonds3

About 1-(2-chloro-5-iodophenyl)-N-cyclopropylimidazol-2-amine

1-(2-chloro-5-iodophenyl)-N-cyclopropylimidazol-2-amine (PubChem CID 114261820) has the molecular formula C12H11ClIN3 and a molecular weight of 359.60 g/mol. Its IUPAC name is 1-(2-chloro-5-iodophenyl)-N-cyclopropylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-iodophenyl)-N-cyclopropylimidazol-2-amine
PubChem CID114261820
Molecular FormulaC12H11ClIN3
Molecular Weight359.60 g/mol
Exact Mass358.97
IUPAC Name1-(2-chloro-5-iodophenyl)-N-cyclopropylimidazol-2-amine
SMILESClc1ccc(I)cc1-n1ccnc1NC1CC1
InChIInChI=1S/C12H11ClIN3/c13-10-4-1-8(14)7-11(10)17-6-5-15-12(17)16-9-2-3-9/h1,4-7,9H,2-3H2,(H,15,16)
InChIKeyTWTHUIINHQDSJT-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.60
LogP ≤ 53.70
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-(2-chlorophenyl)-N-cyclohexylimidazol-2-amine
CID 106558771
1-(2-chloro-5-methoxyphenyl)-N-cyclohexylimidazol-2-amine
CID 106564006
1-(2-chloro-4-fluorophenyl)-N-cyclopentylimidazol-2-amine
CID 106554110
1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine
CID 106576642
N-cyclopentyl-1-(3-iodophenyl)imidazol-2-amine
CID 106554214
N-cyclohexyl-1-(2,3-dichlorophenyl)imidazol-2-amine
CID 106560318
1-(5-chloro-2-methylphenyl)-N-cyclohexylimidazol-2-amine
CID 106560628
1-(3-chloro-2-methylphenyl)-N-cyclohexylimidazol-2-amine
CID 106556315
1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine
CID 106578937
N-cyclopentyl-1-(3,5-dichlorophenyl)imidazol-2-amine
CID 106557230
1-(4-chloro-3-methoxyphenyl)-N-cyclohexylimidazol-2-amine
CID 107623823
1-(2-chloro-5-methylphenyl)-N-methylimidazol-2-amine
CID 107628225

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-iodophenyl)-N-cyclopropylimidazol-2-amine?
The IUPAC name of 1-(2-chloro-5-iodophenyl)-N-cyclopropylimidazol-2-amine (CID 114261820) is 1-(2-chloro-5-iodophenyl)-N-cyclopropylimidazol-2-amine.
What is the SMILES notation for 1-(2-chloro-5-iodophenyl)-N-cyclopropylimidazol-2-amine?
The canonical SMILES for 1-(2-chloro-5-iodophenyl)-N-cyclopropylimidazol-2-amine is Clc1ccc(I)cc1-n1ccnc1NC1CC1.
What is the InChIKey of 1-(2-chloro-5-iodophenyl)-N-cyclopropylimidazol-2-amine?
The InChIKey is TWTHUIINHQDSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClIN3/c13-10-4-1-8(14)7-11(10)17-6-5-15-12(17)16-9-2-3-9/h1,4-7,9H,2-3H2,(H,15,16).
What are the key properties of 1-(2-chloro-5-iodophenyl)-N-cyclopropylimidazol-2-amine?
1-(2-chloro-5-iodophenyl)-N-cyclopropylimidazol-2-amine has a molecular weight of 359.60 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-iodophenyl)-N-cyclopropylimidazol-2-amine is sourced from PubChem (CID 114261820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).