2-imidazol-1-yl-4-[2-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-yl]-6-methylpyrimidine

C22H27N5O2 — CID 57165901

IUPAC2-imidazol-1-yl-4-[2-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-yl]-6-methylpyrimidine
SMILESCOc1ccc(OCCCC2CCCN2c2cc(C)nc(-n3ccnc3)n2)cc1
InChIInChI=1S/C22H27N5O2/c1-17-15-21(25-22(24-17)26-13-11-23-16-26)27-12-3-5-18(27)6-4-14-29-20-9-7-19(28-2)8-10-20/h7-11,13,15-16,18H,3-6,12,14H2,1-2H3
InChIKeyKRTOXJHNMLBYSL-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.81
Rot. Bonds8

About 2-imidazol-1-yl-4-[2-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-yl]-6-methylpyrimidine

2-imidazol-1-yl-4-[2-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-yl]-6-methylpyrimidine (PubChem CID 57165901) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-imidazol-1-yl-4-[2-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-yl]-6-methylpyrimidine.

Molecular Properties

Compound Name2-imidazol-1-yl-4-[2-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-yl]-6-methylpyrimidine
PubChem CID57165901
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name2-imidazol-1-yl-4-[2-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-yl]-6-methylpyrimidine
SMILESCOc1ccc(OCCCC2CCCN2c2cc(C)nc(-n3ccnc3)n2)cc1
InChIInChI=1S/C22H27N5O2/c1-17-15-21(25-22(24-17)26-13-11-23-16-26)27-12-3-5-18(27)6-4-14-29-20-9-7-19(28-2)8-10-20/h7-11,13,15-16,18H,3-6,12,14H2,1-2H3
InChIKeyKRTOXJHNMLBYSL-UHFFFAOYSA-N
XLogP3.81
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-imidazol-1-yl-4-[2-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-yl]-6-methylpyrimidine 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

2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 69349281
methyl 4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 69348044
N-[2-[4-(aminomethyl)phenyl]ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide
CID 174355337
2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine
CID 124998210
N-(2-cyclohex-2-en-1-ylethyl)-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide
CID 174356290
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide
CID 22487804
N-[(2,4-dichlorophenyl)methyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide
CID 54171488
4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperazine-1-carboxamide
CID 69348008
2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine
CID 62863717
4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80798127
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 80679897
2-[4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylsulfonylpiperazin-2-yl]-4-(4-methoxyphenyl)butanamide
CID 69355090

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-4-[2-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-yl]-6-methylpyrimidine?
The IUPAC name of 2-imidazol-1-yl-4-[2-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-yl]-6-methylpyrimidine (CID 57165901) is 2-imidazol-1-yl-4-[2-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-yl]-6-methylpyrimidine.
What is the SMILES notation for 2-imidazol-1-yl-4-[2-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-yl]-6-methylpyrimidine?
The canonical SMILES for 2-imidazol-1-yl-4-[2-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-yl]-6-methylpyrimidine is COc1ccc(OCCCC2CCCN2c2cc(C)nc(-n3ccnc3)n2)cc1.
What is the InChIKey of 2-imidazol-1-yl-4-[2-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-yl]-6-methylpyrimidine?
The InChIKey is KRTOXJHNMLBYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-17-15-21(25-22(24-17)26-13-11-23-16-26)27-12-3-5-18(27)6-4-14-29-20-9-7-19(28-2)8-10-20/h7-11,13,15-16,18H,3-6,12,14H2,1-2H3.
What are the key properties of 2-imidazol-1-yl-4-[2-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-yl]-6-methylpyrimidine?
2-imidazol-1-yl-4-[2-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-yl]-6-methylpyrimidine has a molecular weight of 393.49 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-4-[2-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-yl]-6-methylpyrimidine is sourced from PubChem (CID 57165901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).