4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine

C21H25N5O — CID 77079143

IUPAC4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine
SMILESc1cc(C2CCCN(Cc3ccc(OCCn4ccnc4)cc3)C2)ncn1
InChIInChI=1S/C21H25N5O/c1-2-19(21-7-8-22-16-24-21)15-26(10-1)14-18-3-5-20(6-4-18)27-13-12-25-11-9-23-17-25/h3-9,11,16-17,19H,1-2,10,12-15H2
InChIKeyKDACUXKQTQASDM-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.13
Rot. Bonds7

About 4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine

4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine (PubChem CID 77079143) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine
PubChem CID77079143
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine
SMILESc1cc(C2CCCN(Cc3ccc(OCCn4ccnc4)cc3)C2)ncn1
InChIInChI=1S/C21H25N5O/c1-2-19(21-7-8-22-16-24-21)15-26(10-1)14-18-3-5-20(6-4-18)27-13-12-25-11-9-23-17-25/h3-9,11,16-17,19H,1-2,10,12-15H2
InChIKeyKDACUXKQTQASDM-UHFFFAOYSA-N
XLogP3.13
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-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

2-[4-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]phenoxy]acetic acid
CID 124977007
1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole
CID 99926038
1-[3-[4-(azetidin-1-ylmethyl)phenoxy]propyl]imidazole
CID 77085814
1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine
CID 77086562
4-[(3R)-1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]pyrimidine
CID 124984221
(1S,5S)-3-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 74237391
4-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidine
CID 131891459
4-[(3S)-1-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]piperidin-3-yl]pyrimidine
CID 99948068
(2S)-1-[1-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]azetidin-3-yl]-2-methylpiperidine
CID 95714151
4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine
CID 98323673
1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 99930503

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine?
The IUPAC name of 4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine (CID 77079143) is 4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine.
What is the SMILES notation for 4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine?
The canonical SMILES for 4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine is c1cc(C2CCCN(Cc3ccc(OCCn4ccnc4)cc3)C2)ncn1.
What is the InChIKey of 4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine?
The InChIKey is KDACUXKQTQASDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-2-19(21-7-8-22-16-24-21)15-26(10-1)14-18-3-5-20(6-4-18)27-13-12-25-11-9-23-17-25/h3-9,11,16-17,19H,1-2,10,12-15H2.
What are the key properties of 4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine?
4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine has a molecular weight of 363.47 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine is sourced from PubChem (CID 77079143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).