2-(3-bromobutyl)-1-propylimidazole

C10H17BrN2 — CID 64508695

IUPAC2-(3-bromobutyl)-1-propylimidazole
SMILESCCCn1ccnc1CCC(C)Br
InChIInChI=1S/C10H17BrN2/c1-3-7-13-8-6-12-10(13)5-4-9(2)11/h6,8-9H,3-5,7H2,1-2H3
InChIKeyKMBGPWHKGRYZQK-UHFFFAOYSA-N
MW245.16 g/mol
LogP3.01
Rot. Bonds5

About 2-(3-bromobutyl)-1-propylimidazole

2-(3-bromobutyl)-1-propylimidazole (PubChem CID 64508695) has the molecular formula C10H17BrN2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 2-(3-bromobutyl)-1-propylimidazole.

Molecular Properties

Compound Name2-(3-bromobutyl)-1-propylimidazole
PubChem CID64508695
Molecular FormulaC10H17BrN2
Molecular Weight245.16 g/mol
Exact Mass244.06
IUPAC Name2-(3-bromobutyl)-1-propylimidazole
SMILESCCCn1ccnc1CCC(C)Br
InChIInChI=1S/C10H17BrN2/c1-3-7-13-8-6-12-10(13)5-4-9(2)11/h6,8-9H,3-5,7H2,1-2H3
InChIKeyKMBGPWHKGRYZQK-UHFFFAOYSA-N
XLogP3.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-bromobutyl)-1-propylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromobutyl)-1-ethylimidazole
CID 64509820
2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole
CID 79762064
1-(4-methylpentyl)-2-propylimidazole
CID 83169083
N,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine
CID 79761328
2-methyl-3-(1-propylimidazol-2-yl)propanal
CID 64663884
5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 79751948
2-(4-bromopentyl)-1-methylimidazole
CID 79761341
1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol
CID 79761213
2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole
CID 79760428
2-(5-bromohexyl)-1-methylimidazole
CID 114532192
[1-propan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
CID 105226247
5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine
CID 115325223

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromobutyl)-1-propylimidazole?
The IUPAC name of 2-(3-bromobutyl)-1-propylimidazole (CID 64508695) is 2-(3-bromobutyl)-1-propylimidazole.
What is the SMILES notation for 2-(3-bromobutyl)-1-propylimidazole?
The canonical SMILES for 2-(3-bromobutyl)-1-propylimidazole is CCCn1ccnc1CCC(C)Br.
What is the InChIKey of 2-(3-bromobutyl)-1-propylimidazole?
The InChIKey is KMBGPWHKGRYZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2/c1-3-7-13-8-6-12-10(13)5-4-9(2)11/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of 2-(3-bromobutyl)-1-propylimidazole?
2-(3-bromobutyl)-1-propylimidazole has a molecular weight of 245.16 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromobutyl)-1-propylimidazole is sourced from PubChem (CID 64508695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).