4-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]-2-propan-2-ylpyrimidine;hydrochloride

C21H26ClN5 — CID 154924681

IUPAC4-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]-2-propan-2-ylpyrimidine;hydrochloride
SMILESCC(C)c1nccc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCN2)n1.Cl
InChIInChI=1S/C21H25N5.ClH/c1-15(2)21-23-12-10-18(25-21)20-19(16-7-4-3-5-8-16)24-14-26(20)13-17-9-6-11-22-17;/h3-5,7-8,10,12,14-15,17,22H,6,9,11,13H2,1-2H3;1H/t17-;/m1./s1
InChIKeyBDAFBPZOCVBHSD-UNTBIKODSA-N
MW383.93 g/mol
LogP4.30
Rot. Bonds5

About 4-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]-2-propan-2-ylpyrimidine;hydrochloride

4-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]-2-propan-2-ylpyrimidine;hydrochloride (PubChem CID 154924681) has the molecular formula C21H26ClN5 and a molecular weight of 383.93 g/mol. Its IUPAC name is 4-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]-2-propan-2-ylpyrimidine;hydrochloride.

Molecular Properties

Compound Name4-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]-2-propan-2-ylpyrimidine;hydrochloride
PubChem CID154924681
Molecular FormulaC21H26ClN5
Molecular Weight383.93 g/mol
Exact Mass383.19
IUPAC Name4-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]-2-propan-2-ylpyrimidine;hydrochloride
SMILESCC(C)c1nccc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCN2)n1.Cl
InChIInChI=1S/C21H25N5.ClH/c1-15(2)21-23-12-10-18(25-21)20-19(16-7-4-3-5-8-16)24-14-26(20)13-17-9-6-11-22-17;/h3-5,7-8,10,12,14-15,17,22H,6,9,11,13H2,1-2H3;1H/t17-;/m1./s1
InChIKeyBDAFBPZOCVBHSD-UNTBIKODSA-N
XLogP4.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.93
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine
CID 50970354
N-[2,5-dimethyl-3-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]pyrrol-1-yl]acetamide
CID 50967218
4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62540204
2-propan-2-yl-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117166413
2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride
CID 86262246
4-[3-[(4,4-difluorocyclohexyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine
CID 146914722
4-(3-cyclopent-3-en-1-yl-5-phenylimidazol-4-yl)-2-ethylpyrimidine
CID 50979575
5-methoxy-1-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84794552
2-[3-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]propyl]phenol
CID 50981552
4-[3-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-5-phenylimidazol-4-yl]phenol
CID 75592539
1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 126775451
8-chloro-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one
CID 75690477

Frequently Asked Questions

What is the IUPAC name of 4-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]-2-propan-2-ylpyrimidine;hydrochloride?
The IUPAC name of 4-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]-2-propan-2-ylpyrimidine;hydrochloride (CID 154924681) is 4-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]-2-propan-2-ylpyrimidine;hydrochloride.
What is the SMILES notation for 4-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]-2-propan-2-ylpyrimidine;hydrochloride?
The canonical SMILES for 4-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]-2-propan-2-ylpyrimidine;hydrochloride is CC(C)c1nccc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCN2)n1.Cl.
What is the InChIKey of 4-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]-2-propan-2-ylpyrimidine;hydrochloride?
The InChIKey is BDAFBPZOCVBHSD-UNTBIKODSA-N. The full InChI is InChI=1S/C21H25N5.ClH/c1-15(2)21-23-12-10-18(25-21)20-19(16-7-4-3-5-8-16)24-14-26(20)13-17-9-6-11-22-17;/h3-5,7-8,10,12,14-15,17,22H,6,9,11,13H2,1-2H3;1H/t17-;/m1./s1.
What are the key properties of 4-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]-2-propan-2-ylpyrimidine;hydrochloride?
4-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]-2-propan-2-ylpyrimidine;hydrochloride has a molecular weight of 383.93 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]-2-propan-2-ylpyrimidine;hydrochloride is sourced from PubChem (CID 154924681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).