4-chloro-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine

C19H20ClN5 — CID 20779043

IUPAC4-chloro-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine
SMILESCc1[nH]cnc1C1CCN(c2ncnc(Cl)c2-c2ccccc2)CC1
InChIInChI=1S/C19H20ClN5/c1-13-17(22-11-21-13)15-7-9-25(10-8-15)19-16(18(20)23-12-24-19)14-5-3-2-4-6-14/h2-6,11-12,15H,7-10H2,1H3,(H,21,22)
InChIKeyNISHIGIRWIWAAM-UHFFFAOYSA-N
MW353.86 g/mol
LogP4.21
Rot. Bonds3

About 4-chloro-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine

4-chloro-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine (PubChem CID 20779043) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 4-chloro-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine
PubChem CID20779043
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name4-chloro-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine
SMILESCc1[nH]cnc1C1CCN(c2ncnc(Cl)c2-c2ccccc2)CC1
InChIInChI=1S/C19H20ClN5/c1-13-17(22-11-21-13)15-7-9-25(10-8-15)19-16(18(20)23-12-24-19)14-5-3-2-4-6-14/h2-6,11-12,15H,7-10H2,1H3,(H,21,22)
InChIKeyNISHIGIRWIWAAM-UHFFFAOYSA-N
XLogP4.21
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine?
The IUPAC name of 4-chloro-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine (CID 20779043) is 4-chloro-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine.
What is the SMILES notation for 4-chloro-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine?
The canonical SMILES for 4-chloro-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine is Cc1[nH]cnc1C1CCN(c2ncnc(Cl)c2-c2ccccc2)CC1.
What is the InChIKey of 4-chloro-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine?
The InChIKey is NISHIGIRWIWAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-13-17(22-11-21-13)15-7-9-25(10-8-15)19-16(18(20)23-12-24-19)14-5-3-2-4-6-14/h2-6,11-12,15H,7-10H2,1H3,(H,21,22).
What are the key properties of 4-chloro-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine?
4-chloro-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine has a molecular weight of 353.86 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-5-phenylpyrimidine is sourced from PubChem (CID 20779043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).