4-chloro-5-ethyl-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-phenylpyrimidine

C20H22ClN5 — CID 133448375

IUPAC4-chloro-5-ethyl-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-phenylpyrimidine
SMILESCCc1c(Cl)nc(-c2ccccc2)nc1N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C20H22ClN5/c1-2-16-17(21)24-19(14-7-4-3-5-8-14)25-20(16)26-12-6-9-15(13-26)18-22-10-11-23-18/h3-5,7-8,10-11,15H,2,6,9,12-13H2,1H3,(H,22,23)
InChIKeyPJFFTCGBPMQLEC-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.47
Rot. Bonds4

About 4-chloro-5-ethyl-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-phenylpyrimidine

4-chloro-5-ethyl-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-phenylpyrimidine (PubChem CID 133448375) has the molecular formula C20H22ClN5 and a molecular weight of 367.88 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-phenylpyrimidine
PubChem CID133448375
Molecular FormulaC20H22ClN5
Molecular Weight367.88 g/mol
Exact Mass367.16
IUPAC Name4-chloro-5-ethyl-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-phenylpyrimidine
SMILESCCc1c(Cl)nc(-c2ccccc2)nc1N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C20H22ClN5/c1-2-16-17(21)24-19(14-7-4-3-5-8-14)25-20(16)26-12-6-9-15(13-26)18-22-10-11-23-18/h3-5,7-8,10-11,15H,2,6,9,12-13H2,1H3,(H,22,23)
InChIKeyPJFFTCGBPMQLEC-UHFFFAOYSA-N
XLogP4.47
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline
CID 127741692
2-[(3R)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
CID 124615473
4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylquinoline
CID 133448347
3-chloro-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzonitrile
CID 133448430
2-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]benzimidazol-1-yl]ethanol
CID 72881394
4-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-1,1-dimethylfuro[3,4-c]pyridin-3-one
CID 129352976
[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 124505736
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrazine
CID 133448364
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 133448356
4-chloro-5-ethyl-2-methyl-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
CID 133448919
2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 97268730
4-amino-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 131900302

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-phenylpyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-phenylpyrimidine (CID 133448375) is 4-chloro-5-ethyl-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-phenylpyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-phenylpyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-phenylpyrimidine is CCc1c(Cl)nc(-c2ccccc2)nc1N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of 4-chloro-5-ethyl-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-phenylpyrimidine?
The InChIKey is PJFFTCGBPMQLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5/c1-2-16-17(21)24-19(14-7-4-3-5-8-14)25-20(16)26-12-6-9-15(13-26)18-22-10-11-23-18/h3-5,7-8,10-11,15H,2,6,9,12-13H2,1H3,(H,22,23).
What are the key properties of 4-chloro-5-ethyl-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-phenylpyrimidine?
4-chloro-5-ethyl-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-phenylpyrimidine has a molecular weight of 367.88 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-phenylpyrimidine is sourced from PubChem (CID 133448375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).