2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine

C19H22N6 — CID 10735463

IUPAC2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCc1[nH]c(-c2ccccc2)nc1CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H22N6/c1-15-17(23-18(22-15)16-6-3-2-4-7-16)14-24-10-12-25(13-11-24)19-20-8-5-9-21-19/h2-9H,10-14H2,1H3,(H,22,23)
InChIKeyWVAKMWHEKNXRHK-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.50
Rot. Bonds4

About 2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine

2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 10735463) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine
PubChem CID10735463
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCc1[nH]c(-c2ccccc2)nc1CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H22N6/c1-15-17(23-18(22-15)16-6-3-2-4-7-16)14-24-10-12-25(13-11-24)19-20-8-5-9-21-19/h2-9H,10-14H2,1H3,(H,22,23)
InChIKeyWVAKMWHEKNXRHK-UHFFFAOYSA-N
XLogP2.50
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

Toreforant
CID 23650961
Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
SB-220025
CID 5164
6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
PF-4708671
CID 51371303
PF-670462
CID 51049607
2-(3-Trifluoromethylphenyl)histamine
CID 5310982
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
3-(1H-imidazol-5-yl)pyridine
CID 3040177

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine (CID 10735463) is 2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine is Cc1[nH]c(-c2ccccc2)nc1CN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is WVAKMWHEKNXRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-15-17(23-18(22-15)16-6-3-2-4-7-16)14-24-10-12-25(13-11-24)19-20-8-5-9-21-19/h2-9H,10-14H2,1H3,(H,22,23).
What are the key properties of 2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 334.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 10735463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).