1-(4,4-dimethylpentyl)-2-(3-iodophenyl)imidazole

C16H21IN2 — CID 114210627

IUPAC1-(4,4-dimethylpentyl)-2-(3-iodophenyl)imidazole
SMILESCC(C)(C)CCCn1ccnc1-c1cccc(I)c1
InChIInChI=1S/C16H21IN2/c1-16(2,3)8-5-10-19-11-9-18-15(19)13-6-4-7-14(17)12-13/h4,6-7,9,11-12H,5,8,10H2,1-3H3
InChIKeyQYLYZHVLBRPEGY-UHFFFAOYSA-N
MW368.26 g/mol
LogP4.98
Rot. Bonds4

About 1-(4,4-dimethylpentyl)-2-(3-iodophenyl)imidazole

1-(4,4-dimethylpentyl)-2-(3-iodophenyl)imidazole (PubChem CID 114210627) has the molecular formula C16H21IN2 and a molecular weight of 368.26 g/mol. Its IUPAC name is 1-(4,4-dimethylpentyl)-2-(3-iodophenyl)imidazole.

Molecular Properties

Compound Name1-(4,4-dimethylpentyl)-2-(3-iodophenyl)imidazole
PubChem CID114210627
Molecular FormulaC16H21IN2
Molecular Weight368.26 g/mol
Exact Mass368.07
IUPAC Name1-(4,4-dimethylpentyl)-2-(3-iodophenyl)imidazole
SMILESCC(C)(C)CCCn1ccnc1-c1cccc(I)c1
InChIInChI=1S/C16H21IN2/c1-16(2,3)8-5-10-19-11-9-18-15(19)13-6-4-7-14(17)12-13/h4,6-7,9,11-12H,5,8,10H2,1-3H3
InChIKeyQYLYZHVLBRPEGY-UHFFFAOYSA-N
XLogP4.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-iodophenyl)-1-(2-methylsulfonylethyl)imidazole
CID 79788339
2-(4-iodophenyl)-1-(4,4,4-trifluorobutyl)imidazole
CID 113327565
3-(1-butylimidazol-2-yl)aniline
CID 60813678
1-(5,5-dimethylhexyl)-2-methylimidazole
CID 168848889
3-[1-(3-methylsulfonylpropyl)imidazol-2-yl]aniline
CID 63191637
N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine
CID 62566993
1-(2,2-dimethylpropyl)-2-phenylimidazole
CID 21060212
1-(3-bromopropyl)-2-phenylimidazole
CID 61069567
[3-(1-propylimidazol-2-yl)phenyl]methanamine
CID 63974354
3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline
CID 103409739
3-[2-(3-nitrophenyl)imidazol-1-yl]propan-1-amine
CID 82559262
3-[1-[(4-iodophenyl)methyl]imidazol-2-yl]aniline
CID 65477799

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentyl)-2-(3-iodophenyl)imidazole?
The IUPAC name of 1-(4,4-dimethylpentyl)-2-(3-iodophenyl)imidazole (CID 114210627) is 1-(4,4-dimethylpentyl)-2-(3-iodophenyl)imidazole.
What is the SMILES notation for 1-(4,4-dimethylpentyl)-2-(3-iodophenyl)imidazole?
The canonical SMILES for 1-(4,4-dimethylpentyl)-2-(3-iodophenyl)imidazole is CC(C)(C)CCCn1ccnc1-c1cccc(I)c1.
What is the InChIKey of 1-(4,4-dimethylpentyl)-2-(3-iodophenyl)imidazole?
The InChIKey is QYLYZHVLBRPEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN2/c1-16(2,3)8-5-10-19-11-9-18-15(19)13-6-4-7-14(17)12-13/h4,6-7,9,11-12H,5,8,10H2,1-3H3.
What are the key properties of 1-(4,4-dimethylpentyl)-2-(3-iodophenyl)imidazole?
1-(4,4-dimethylpentyl)-2-(3-iodophenyl)imidazole has a molecular weight of 368.26 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentyl)-2-(3-iodophenyl)imidazole is sourced from PubChem (CID 114210627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).