1-heptan-3-ylimidazole;hydrobromide

C10H19BrN2 — CID 174803482

IUPAC1-heptan-3-ylimidazole;hydrobromide
SMILESBr.CCCCC(CC)n1ccnc1
InChIInChI=1S/C10H18N2.BrH/c1-3-5-6-10(4-2)12-8-7-11-9-12;/h7-10H,3-6H2,1-2H3;1H
InChIKeyZMJDPGOEAHUCJA-UHFFFAOYSA-N
MW247.18 g/mol
LogP3.60
Rot. Bonds5

About 1-heptan-3-ylimidazole;hydrobromide

1-heptan-3-ylimidazole;hydrobromide (PubChem CID 174803482) has the molecular formula C10H19BrN2 and a molecular weight of 247.18 g/mol. Its IUPAC name is 1-heptan-3-ylimidazole;hydrobromide.

Molecular Properties

Compound Name1-heptan-3-ylimidazole;hydrobromide
PubChem CID174803482
Molecular FormulaC10H19BrN2
Molecular Weight247.18 g/mol
Exact Mass246.07
IUPAC Name1-heptan-3-ylimidazole;hydrobromide
SMILESBr.CCCCC(CC)n1ccnc1
InChIInChI=1S/C10H18N2.BrH/c1-3-5-6-10(4-2)12-8-7-11-9-12;/h7-10H,3-6H2,1-2H3;1H
InChIKeyZMJDPGOEAHUCJA-UHFFFAOYSA-N
XLogP3.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-heptan-3-ylimidazole;hydrobromide 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

1-hexan-3-ylimidazole
CID 54145075
1-docosan-5-ylimidazole
CID 135305816
1-octadecan-4-ylimidazole
CID 174516132
3-imidazol-1-yldodecan-1-ol
CID 174685778
1-(5-ethyloctan-3-yl)imidazole
CID 140807284
1-[(2S)-1,5-dibutoxypentan-2-yl]imidazole
CID 101426270
10-imidazol-1-yloctadecanoic acid
CID 86691655
1-hex-5-en-3-ylimidazole
CID 121330081
1-(1-phenyltridecan-3-yl)imidazole
CID 69387283
fluoromethane;1-heptan-2-ylimidazole
CID 174715360
3-imidazol-1-yl-N-propyloctanamide
CID 67900552
2-imidazol-1-yl-N-(2-methylpropyl)butan-1-amine
CID 62448325

Frequently Asked Questions

What is the IUPAC name of 1-heptan-3-ylimidazole;hydrobromide?
The IUPAC name of 1-heptan-3-ylimidazole;hydrobromide (CID 174803482) is 1-heptan-3-ylimidazole;hydrobromide.
What is the SMILES notation for 1-heptan-3-ylimidazole;hydrobromide?
The canonical SMILES for 1-heptan-3-ylimidazole;hydrobromide is Br.CCCCC(CC)n1ccnc1.
What is the InChIKey of 1-heptan-3-ylimidazole;hydrobromide?
The InChIKey is ZMJDPGOEAHUCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.BrH/c1-3-5-6-10(4-2)12-8-7-11-9-12;/h7-10H,3-6H2,1-2H3;1H.
What are the key properties of 1-heptan-3-ylimidazole;hydrobromide?
1-heptan-3-ylimidazole;hydrobromide has a molecular weight of 247.18 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-3-ylimidazole;hydrobromide is sourced from PubChem (CID 174803482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).