1-(3-bromopropyl)-2-phenylimidazole

C12H13BrN2 — CID 61069567

IUPAC1-(3-bromopropyl)-2-phenylimidazole
SMILESBrCCCn1ccnc1-c1ccccc1
InChIInChI=1S/C12H13BrN2/c13-7-4-9-15-10-8-14-12(15)11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9H2
InChIKeyRVAFZLNNMFYKEB-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.34
Rot. Bonds4

About 1-(3-bromopropyl)-2-phenylimidazole

1-(3-bromopropyl)-2-phenylimidazole (PubChem CID 61069567) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 1-(3-bromopropyl)-2-phenylimidazole.

Molecular Properties

Compound Name1-(3-bromopropyl)-2-phenylimidazole
PubChem CID61069567
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name1-(3-bromopropyl)-2-phenylimidazole
SMILESBrCCCn1ccnc1-c1ccccc1
InChIInChI=1S/C12H13BrN2/c13-7-4-9-15-10-8-14-12(15)11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9H2
InChIKeyRVAFZLNNMFYKEB-UHFFFAOYSA-N
XLogP3.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenylimidazol-1-yl)butanoic acid
CID 15307825
4-(2-phenylimidazol-1-yl)butanethioamide
CID 61069569
methyl 4-(2-phenylimidazol-1-yl)butanoate
CID 11149223
3-(2-phenylimidazol-1-yl)propanal
CID 63040001
1-but-3-ynyl-2-phenylimidazole
CID 55249657
N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine
CID 62566993
5-phenyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine
CID 11336787
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
2-(2-phenylimidazol-1-yl)acetonitrile
CID 58743635
1-(2,2-dimethylpropyl)-2-phenylimidazole
CID 21060212
3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine
CID 55088135
ethane;1-methyl-2-phenylimidazole
CID 142155183

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-2-phenylimidazole?
The IUPAC name of 1-(3-bromopropyl)-2-phenylimidazole (CID 61069567) is 1-(3-bromopropyl)-2-phenylimidazole.
What is the SMILES notation for 1-(3-bromopropyl)-2-phenylimidazole?
The canonical SMILES for 1-(3-bromopropyl)-2-phenylimidazole is BrCCCn1ccnc1-c1ccccc1.
What is the InChIKey of 1-(3-bromopropyl)-2-phenylimidazole?
The InChIKey is RVAFZLNNMFYKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c13-7-4-9-15-10-8-14-12(15)11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9H2.
What are the key properties of 1-(3-bromopropyl)-2-phenylimidazole?
1-(3-bromopropyl)-2-phenylimidazole has a molecular weight of 265.15 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-2-phenylimidazole is sourced from PubChem (CID 61069567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).