1-ethyl-2-[(1R)-1-iodoethyl]imidazole

C7H11IN2 — CID 97177373

IUPAC1-ethyl-2-[(1R)-1-iodoethyl]imidazole
SMILESCCn1ccnc1[C@@H](C)I
InChIInChI=1S/C7H11IN2/c1-3-10-5-4-9-7(10)6(2)8/h4-6H,3H2,1-2H3/t6-/m1/s1
InChIKeyOUAUNRCHNIKNHU-ZCFIWIBFSA-N
MW250.08 g/mol
LogP2.40
Rot. Bonds2

About 1-ethyl-2-[(1R)-1-iodoethyl]imidazole

1-ethyl-2-[(1R)-1-iodoethyl]imidazole (PubChem CID 97177373) has the molecular formula C7H11IN2 and a molecular weight of 250.08 g/mol. Its IUPAC name is 1-ethyl-2-[(1R)-1-iodoethyl]imidazole.

Molecular Properties

Compound Name1-ethyl-2-[(1R)-1-iodoethyl]imidazole
PubChem CID97177373
Molecular FormulaC7H11IN2
Molecular Weight250.08 g/mol
Exact Mass250.00
IUPAC Name1-ethyl-2-[(1R)-1-iodoethyl]imidazole
SMILESCCn1ccnc1[C@@H](C)I
InChIInChI=1S/C7H11IN2/c1-3-10-5-4-9-7(10)6(2)8/h4-6H,3H2,1-2H3/t6-/m1/s1
InChIKeyOUAUNRCHNIKNHU-ZCFIWIBFSA-N
XLogP2.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-(1-bromoethyl)-1-ethylimidazole
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(1S)-1-(1-ethylimidazol-2-yl)-N-methylethanesulfonamide
CID 97177386
1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 63967915
N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-amine
CID 63967917
1-(1-ethylimidazol-2-yl)-2-methoxypropan-1-ol
CID 79616649
1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine
CID 63968362
[1-(1-ethylimidazol-2-yl)-3-methylbutyl]hydrazine
CID 105198831
N-[(1R)-1-(1-ethylimidazol-2-yl)ethyl]cyclopropanamine
CID 97177377
N-ethyl-4-(1-ethylimidazol-2-yl)pentan-2-amine
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1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol
CID 115800026

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1R)-1-iodoethyl]imidazole?
The IUPAC name of 1-ethyl-2-[(1R)-1-iodoethyl]imidazole (CID 97177373) is 1-ethyl-2-[(1R)-1-iodoethyl]imidazole.
What is the SMILES notation for 1-ethyl-2-[(1R)-1-iodoethyl]imidazole?
The canonical SMILES for 1-ethyl-2-[(1R)-1-iodoethyl]imidazole is CCn1ccnc1[C@@H](C)I.
What is the InChIKey of 1-ethyl-2-[(1R)-1-iodoethyl]imidazole?
The InChIKey is OUAUNRCHNIKNHU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11IN2/c1-3-10-5-4-9-7(10)6(2)8/h4-6H,3H2,1-2H3/t6-/m1/s1.
What are the key properties of 1-ethyl-2-[(1R)-1-iodoethyl]imidazole?
1-ethyl-2-[(1R)-1-iodoethyl]imidazole has a molecular weight of 250.08 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1R)-1-iodoethyl]imidazole is sourced from PubChem (CID 97177373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).