2-phenyl-5-(2-pyrrolidin-3-yl-1H-imidazol-5-yl)pyrimidine

C17H17N5 — CID 59252462

IUPAC2-phenyl-5-(2-pyrrolidin-3-yl-1H-imidazol-5-yl)pyrimidine
SMILESc1ccc(-c2ncc(-c3cnc(C4CCNC4)[nH]3)cn2)cc1
InChIInChI=1S/C17H17N5/c1-2-4-12(5-3-1)16-19-9-14(10-20-16)15-11-21-17(22-15)13-6-7-18-8-13/h1-5,9-11,13,18H,6-8H2,(H,21,22)
InChIKeyYRDILXMZJGUJKP-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.61
Rot. Bonds3

About 2-phenyl-5-(2-pyrrolidin-3-yl-1H-imidazol-5-yl)pyrimidine

2-phenyl-5-(2-pyrrolidin-3-yl-1H-imidazol-5-yl)pyrimidine (PubChem CID 59252462) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-phenyl-5-(2-pyrrolidin-3-yl-1H-imidazol-5-yl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-5-(2-pyrrolidin-3-yl-1H-imidazol-5-yl)pyrimidine
PubChem CID59252462
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name2-phenyl-5-(2-pyrrolidin-3-yl-1H-imidazol-5-yl)pyrimidine
SMILESc1ccc(-c2ncc(-c3cnc(C4CCNC4)[nH]3)cn2)cc1
InChIInChI=1S/C17H17N5/c1-2-4-12(5-3-1)16-19-9-14(10-20-16)15-11-21-17(22-15)13-6-7-18-8-13/h1-5,9-11,13,18H,6-8H2,(H,21,22)
InChIKeyYRDILXMZJGUJKP-UHFFFAOYSA-N
XLogP2.61
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-phenyl-1H-imidazol-2-yl)piperidine
CID 22615586
5-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine
CID 67361067
3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651037
5-[2-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine
CID 45137720
4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43650774
3-(2-piperidin-4-yl-1H-imidazol-5-yl)benzonitrile;dihydrochloride
CID 141220521
3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43650991
3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43651028
4-(2-phenylpyrimidin-5-yl)-2-piperidin-4-yl-1,3-thiazole
CID 59252377
3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43650985
3-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]piperidine
CID 43651004
6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole
CID 130454688

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(2-pyrrolidin-3-yl-1H-imidazol-5-yl)pyrimidine?
The IUPAC name of 2-phenyl-5-(2-pyrrolidin-3-yl-1H-imidazol-5-yl)pyrimidine (CID 59252462) is 2-phenyl-5-(2-pyrrolidin-3-yl-1H-imidazol-5-yl)pyrimidine.
What is the SMILES notation for 2-phenyl-5-(2-pyrrolidin-3-yl-1H-imidazol-5-yl)pyrimidine?
The canonical SMILES for 2-phenyl-5-(2-pyrrolidin-3-yl-1H-imidazol-5-yl)pyrimidine is c1ccc(-c2ncc(-c3cnc(C4CCNC4)[nH]3)cn2)cc1.
What is the InChIKey of 2-phenyl-5-(2-pyrrolidin-3-yl-1H-imidazol-5-yl)pyrimidine?
The InChIKey is YRDILXMZJGUJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-2-4-12(5-3-1)16-19-9-14(10-20-16)15-11-21-17(22-15)13-6-7-18-8-13/h1-5,9-11,13,18H,6-8H2,(H,21,22).
What are the key properties of 2-phenyl-5-(2-pyrrolidin-3-yl-1H-imidazol-5-yl)pyrimidine?
2-phenyl-5-(2-pyrrolidin-3-yl-1H-imidazol-5-yl)pyrimidine has a molecular weight of 291.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(2-pyrrolidin-3-yl-1H-imidazol-5-yl)pyrimidine is sourced from PubChem (CID 59252462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).