5-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine

C22H25N5 — CID 67361067

IUPAC5-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine
SMILESc1ccc(-c2ncc(-c3cnc(C4CCN(CC5CC5)CC4)[nH]3)cn2)cc1
InChIInChI=1S/C22H25N5/c1-2-4-17(5-3-1)21-23-12-19(13-24-21)20-14-25-22(26-20)18-8-10-27(11-9-18)15-16-6-7-16/h1-5,12-14,16,18H,6-11,15H2,(H,25,26)
InChIKeyLNJWKVUWDJRBFY-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.12
Rot. Bonds5

About 5-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine

5-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine (PubChem CID 67361067) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 5-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine.

Molecular Properties

Compound Name5-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine
PubChem CID67361067
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name5-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine
SMILESc1ccc(-c2ncc(-c3cnc(C4CCN(CC5CC5)CC4)[nH]3)cn2)cc1
InChIInChI=1S/C22H25N5/c1-2-4-17(5-3-1)21-23-12-19(13-24-21)20-14-25-22(26-20)18-8-10-27(11-9-18)15-16-6-7-16/h1-5,12-14,16,18H,6-11,15H2,(H,25,26)
InChIKeyLNJWKVUWDJRBFY-UHFFFAOYSA-N
XLogP4.12
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine?
The IUPAC name of 5-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine (CID 67361067) is 5-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine.
What is the SMILES notation for 5-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine?
The canonical SMILES for 5-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine is c1ccc(-c2ncc(-c3cnc(C4CCN(CC5CC5)CC4)[nH]3)cn2)cc1.
What is the InChIKey of 5-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine?
The InChIKey is LNJWKVUWDJRBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-2-4-17(5-3-1)21-23-12-19(13-24-21)20-14-25-22(26-20)18-8-10-27(11-9-18)15-16-6-7-16/h1-5,12-14,16,18H,6-11,15H2,(H,25,26).
What are the key properties of 5-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine?
5-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine has a molecular weight of 359.48 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine is sourced from PubChem (CID 67361067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).