4-[6-(3-chlorophenyl)hexyl]-2-imidazol-1-ylpyrimidine

C19H21ClN4 — CID 147969394

IUPAC4-[6-(3-chlorophenyl)hexyl]-2-imidazol-1-ylpyrimidine
SMILESClc1cccc(CCCCCCc2ccnc(-n3ccnc3)n2)c1
InChIInChI=1S/C19H21ClN4/c20-17-8-5-7-16(14-17)6-3-1-2-4-9-18-10-11-22-19(23-18)24-13-12-21-15-24/h5,7-8,10-15H,1-4,6,9H2
InChIKeyIRASTBVVWOLKDK-UHFFFAOYSA-N
MW340.86 g/mol
LogP4.66
Rot. Bonds8

About 4-[6-(3-chlorophenyl)hexyl]-2-imidazol-1-ylpyrimidine

4-[6-(3-chlorophenyl)hexyl]-2-imidazol-1-ylpyrimidine (PubChem CID 147969394) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is 4-[6-(3-chlorophenyl)hexyl]-2-imidazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-[6-(3-chlorophenyl)hexyl]-2-imidazol-1-ylpyrimidine
PubChem CID147969394
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name4-[6-(3-chlorophenyl)hexyl]-2-imidazol-1-ylpyrimidine
SMILESClc1cccc(CCCCCCc2ccnc(-n3ccnc3)n2)c1
InChIInChI=1S/C19H21ClN4/c20-17-8-5-7-16(14-17)6-3-1-2-4-9-18-10-11-22-19(23-18)24-13-12-21-15-24/h5,7-8,10-15H,1-4,6,9H2
InChIKeyIRASTBVVWOLKDK-UHFFFAOYSA-N
XLogP4.66
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-imidazol-1-yl-4-[4-(3-isocyanophenyl)butyl]pyrimidine
CID 152937397
1-[5-chloro-2-[(3-chlorophenyl)methyl]phenyl]imidazole
CID 152746844
4-[3-(3-chlorophenyl)propyl]pyridine
CID 19783328
N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide
CID 31533323
1-chloro-3-octylbenzene
CID 11458768
3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one
CID 82116505
1-chloro-3-(3-fluoropropyl)benzene
CID 54201496
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine
CID 70026802
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 87011035
1-chloro-3-(7-methyloctyl)benzene
CID 168947295
2-imidazol-1-ylpyrimidine-4-carboxamide
CID 141444759

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-chlorophenyl)hexyl]-2-imidazol-1-ylpyrimidine?
The IUPAC name of 4-[6-(3-chlorophenyl)hexyl]-2-imidazol-1-ylpyrimidine (CID 147969394) is 4-[6-(3-chlorophenyl)hexyl]-2-imidazol-1-ylpyrimidine.
What is the SMILES notation for 4-[6-(3-chlorophenyl)hexyl]-2-imidazol-1-ylpyrimidine?
The canonical SMILES for 4-[6-(3-chlorophenyl)hexyl]-2-imidazol-1-ylpyrimidine is Clc1cccc(CCCCCCc2ccnc(-n3ccnc3)n2)c1.
What is the InChIKey of 4-[6-(3-chlorophenyl)hexyl]-2-imidazol-1-ylpyrimidine?
The InChIKey is IRASTBVVWOLKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4/c20-17-8-5-7-16(14-17)6-3-1-2-4-9-18-10-11-22-19(23-18)24-13-12-21-15-24/h5,7-8,10-15H,1-4,6,9H2.
What are the key properties of 4-[6-(3-chlorophenyl)hexyl]-2-imidazol-1-ylpyrimidine?
4-[6-(3-chlorophenyl)hexyl]-2-imidazol-1-ylpyrimidine has a molecular weight of 340.86 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-chlorophenyl)hexyl]-2-imidazol-1-ylpyrimidine is sourced from PubChem (CID 147969394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).