1-[1-[2-[(4S)-2-methylpentadecan-4-yl]phenyl]propyl]imidazole

C28H46N2 — CID 69394622

IUPAC1-[1-[2-[(4S)-2-methylpentadecan-4-yl]phenyl]propyl]imidazole
SMILESCCCCCCCCCCCC(CC(C)C)c1ccccc1C(CC)n1ccnc1
InChIInChI=1S/C28H46N2/c1-5-7-8-9-10-11-12-13-14-17-25(22-24(3)4)26-18-15-16-19-27(26)28(6-2)30-21-20-29-23-30/h15-16,18-21,23-25,28H,5-14,17,22H2,1-4H3
InChIKeyRDTPBJQCJNTYOE-UHFFFAOYSA-N
MW410.69 g/mol
LogP8.93
Rot. Bonds16

About 1-[1-[2-[(4S)-2-methylpentadecan-4-yl]phenyl]propyl]imidazole

1-[1-[2-[(4S)-2-methylpentadecan-4-yl]phenyl]propyl]imidazole (PubChem CID 69394622) has the molecular formula C28H46N2 and a molecular weight of 410.69 g/mol. Its IUPAC name is 1-[1-[2-[(4S)-2-methylpentadecan-4-yl]phenyl]propyl]imidazole.

Molecular Properties

Compound Name1-[1-[2-[(4S)-2-methylpentadecan-4-yl]phenyl]propyl]imidazole
PubChem CID69394622
Molecular FormulaC28H46N2
Molecular Weight410.69 g/mol
Exact Mass410.37
IUPAC Name1-[1-[2-[(4S)-2-methylpentadecan-4-yl]phenyl]propyl]imidazole
SMILESCCCCCCCCCCCC(CC(C)C)c1ccccc1C(CC)n1ccnc1
InChIInChI=1S/C28H46N2/c1-5-7-8-9-10-11-12-13-14-17-25(22-24(3)4)26-18-15-16-19-27(26)28(6-2)30-21-20-29-23-30/h15-16,18-21,23-25,28H,5-14,17,22H2,1-4H3
InChIKeyRDTPBJQCJNTYOE-UHFFFAOYSA-N
XLogP8.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.69
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-pentacosan-11-ylphenyl)propyl]imidazole
CID 69391423
1-[1-[2-[(8S)-tricosan-8-yl]phenyl]propyl]imidazole
CID 69390976
1-[1-[2-[(8S)-henicosan-8-yl]phenyl]propyl]imidazole
CID 69398606
1-(1-phenyltridecan-3-yl)imidazole
CID 69387283
1-docosan-5-ylimidazole
CID 135305816
1-[2-[(4S)-docosan-4-yl]phenyl]imidazole
CID 69396743
1-octadecan-4-ylimidazole
CID 174516132
1-(4-benzyl-2-methyltetradecan-3-yl)imidazole
CID 69407939
1-(3-benzyl-2-methylicosan-4-yl)imidazole
CID 69395203
1-(3-benzyl-2-methyldecan-4-yl)imidazole
CID 69389402
fluoromethane;1-heptan-2-ylimidazole
CID 174715360
1-(7-benzyldocosan-8-yl)imidazole
CID 69392028

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(4S)-2-methylpentadecan-4-yl]phenyl]propyl]imidazole?
The IUPAC name of 1-[1-[2-[(4S)-2-methylpentadecan-4-yl]phenyl]propyl]imidazole (CID 69394622) is 1-[1-[2-[(4S)-2-methylpentadecan-4-yl]phenyl]propyl]imidazole.
What is the SMILES notation for 1-[1-[2-[(4S)-2-methylpentadecan-4-yl]phenyl]propyl]imidazole?
The canonical SMILES for 1-[1-[2-[(4S)-2-methylpentadecan-4-yl]phenyl]propyl]imidazole is CCCCCCCCCCCC(CC(C)C)c1ccccc1C(CC)n1ccnc1.
What is the InChIKey of 1-[1-[2-[(4S)-2-methylpentadecan-4-yl]phenyl]propyl]imidazole?
The InChIKey is RDTPBJQCJNTYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46N2/c1-5-7-8-9-10-11-12-13-14-17-25(22-24(3)4)26-18-15-16-19-27(26)28(6-2)30-21-20-29-23-30/h15-16,18-21,23-25,28H,5-14,17,22H2,1-4H3.
What are the key properties of 1-[1-[2-[(4S)-2-methylpentadecan-4-yl]phenyl]propyl]imidazole?
1-[1-[2-[(4S)-2-methylpentadecan-4-yl]phenyl]propyl]imidazole has a molecular weight of 410.69 g/mol, XLogP of 8.93, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(4S)-2-methylpentadecan-4-yl]phenyl]propyl]imidazole is sourced from PubChem (CID 69394622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).