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

C20H21N9 — CID 45137720

IUPAC5-[2-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine
SMILESCn1nnnc1N1CCC(c2ncc(-c3cnc(-c4ccccc4)nc3)[nH]2)CC1
InChIInChI=1S/C20H21N9/c1-28-20(25-26-27-28)29-9-7-15(8-10-29)19-23-13-17(24-19)16-11-21-18(22-12-16)14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3,(H,23,24)
InChIKeyCELUCRQLAFAYCR-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.44
Rot. Bonds4

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

5-[2-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine (PubChem CID 45137720) has the molecular formula C20H21N9 and a molecular weight of 387.45 g/mol. Its IUPAC name is 5-[2-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine.

Molecular Properties

Compound Name5-[2-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine
PubChem CID45137720
Molecular FormulaC20H21N9
Molecular Weight387.45 g/mol
Exact Mass387.19
IUPAC Name5-[2-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine
SMILESCn1nnnc1N1CCC(c2ncc(-c3cnc(-c4ccccc4)nc3)[nH]2)CC1
InChIInChI=1S/C20H21N9/c1-28-20(25-26-27-28)29-9-7-15(8-10-29)19-23-13-17(24-19)16-11-21-18(22-12-16)14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3,(H,23,24)
InChIKeyCELUCRQLAFAYCR-UHFFFAOYSA-N
XLogP2.44
TPSA101.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine?
The IUPAC name of 5-[2-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine (CID 45137720) is 5-[2-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine.
What is the SMILES notation for 5-[2-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine?
The canonical SMILES for 5-[2-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine is Cn1nnnc1N1CCC(c2ncc(-c3cnc(-c4ccccc4)nc3)[nH]2)CC1.
What is the InChIKey of 5-[2-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine?
The InChIKey is CELUCRQLAFAYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9/c1-28-20(25-26-27-28)29-9-7-15(8-10-29)19-23-13-17(24-19)16-11-21-18(22-12-16)14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3,(H,23,24).
What are the key properties of 5-[2-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine?
5-[2-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine has a molecular weight of 387.45 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine is sourced from PubChem (CID 45137720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).