2-ethyl-5-[5-phenyl-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]pyrimidine

C22H25N7 — CID 95136939

IUPAC2-ethyl-5-[5-phenyl-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]pyrimidine
SMILESCCCn1ncnc1[C@H](C)n1cnc(-c2ccccc2)c1-c1cnc(CC)nc1
InChIInChI=1S/C22H25N7/c1-4-11-29-22(25-14-27-29)16(3)28-15-26-20(17-9-7-6-8-10-17)21(28)18-12-23-19(5-2)24-13-18/h6-10,12-16H,4-5,11H2,1-3H3/t16-/m0/s1
InChIKeyPTGWDCBZUNHZKS-INIZCTEOSA-N
MW387.49 g/mol
LogP4.18
Rot. Bonds7

About 2-ethyl-5-[5-phenyl-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]pyrimidine

2-ethyl-5-[5-phenyl-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]pyrimidine (PubChem CID 95136939) has the molecular formula C22H25N7 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-ethyl-5-[5-phenyl-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]pyrimidine.

Molecular Properties

Compound Name2-ethyl-5-[5-phenyl-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]pyrimidine
PubChem CID95136939
Molecular FormulaC22H25N7
Molecular Weight387.49 g/mol
Exact Mass387.22
IUPAC Name2-ethyl-5-[5-phenyl-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]pyrimidine
SMILESCCCn1ncnc1[C@H](C)n1cnc(-c2ccccc2)c1-c1cnc(CC)nc1
InChIInChI=1S/C22H25N7/c1-4-11-29-22(25-14-27-29)16(3)28-15-26-20(17-9-7-6-8-10-17)21(28)18-12-23-19(5-2)24-13-18/h6-10,12-16H,4-5,11H2,1-3H3/t16-/m0/s1
InChIKeyPTGWDCBZUNHZKS-INIZCTEOSA-N
XLogP4.18
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]-2-methyl-1,3-thiazole
CID 95125155
5-[3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-2-ethylpyrimidine
CID 95128183
4,5-diphenyl-1-propylimidazole
CID 14950648
1-methyl-5-[(1S)-3-methyl-1-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]butyl]-1,2,4-triazole
CID 95121745
6-[1-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]quinoline
CID 154567422
(2S)-2-[5-(5-methyl-1-propylpyrazol-4-yl)-4-phenylimidazol-1-yl]-4-methylsulfanylbutan-1-ol
CID 50966025
3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 95149257
4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol
CID 95120357
N-[4-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]phenyl]acetamide
CID 95130613
3-[5-phenyl-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazol-4-yl]benzonitrile
CID 95208800
5-(furan-2-yl)-1-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-4-phenylimidazole
CID 95123632
3-methyl-5-[(1S)-1-[4-phenyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]propyl]-1,2,4-oxadiazole
CID 95123045

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[5-phenyl-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]pyrimidine?
The IUPAC name of 2-ethyl-5-[5-phenyl-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]pyrimidine (CID 95136939) is 2-ethyl-5-[5-phenyl-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]pyrimidine.
What is the SMILES notation for 2-ethyl-5-[5-phenyl-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]pyrimidine?
The canonical SMILES for 2-ethyl-5-[5-phenyl-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]pyrimidine is CCCn1ncnc1[C@H](C)n1cnc(-c2ccccc2)c1-c1cnc(CC)nc1.
What is the InChIKey of 2-ethyl-5-[5-phenyl-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]pyrimidine?
The InChIKey is PTGWDCBZUNHZKS-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25N7/c1-4-11-29-22(25-14-27-29)16(3)28-15-26-20(17-9-7-6-8-10-17)21(28)18-12-23-19(5-2)24-13-18/h6-10,12-16H,4-5,11H2,1-3H3/t16-/m0/s1.
What are the key properties of 2-ethyl-5-[5-phenyl-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]pyrimidine?
2-ethyl-5-[5-phenyl-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]pyrimidine has a molecular weight of 387.49 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[5-phenyl-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]pyrimidine is sourced from PubChem (CID 95136939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).