5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidine

C26H30N8 — CID 143630216

IUPAC5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidine
SMILESCN1CCC[C@H]1c1ncc(-c2ccc(-c3ncc(-c4cnc([C@@H]5CCCN5C)[nH]4)cn3)cc2)[nH]1
InChIInChI=1S/C26H30N8/c1-33-11-3-5-22(33)25-29-15-20(31-25)17-7-9-18(10-8-17)24-27-13-19(14-28-24)21-16-30-26(32-21)23-6-4-12-34(23)2/h7-10,13-16,22-23H,3-6,11-12H2,1-2H3,(H,29,31)(H,30,32)/t22-,23-/m0/s1
InChIKeyIGWGRDYIWLBUSH-GOTSBHOMSA-N
MW454.58 g/mol
LogP4.46
Rot. Bonds5

About 5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidine

5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidine (PubChem CID 143630216) has the molecular formula C26H30N8 and a molecular weight of 454.58 g/mol. Its IUPAC name is 5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidine.

Molecular Properties

Compound Name5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidine
PubChem CID143630216
Molecular FormulaC26H30N8
Molecular Weight454.58 g/mol
Exact Mass454.26
IUPAC Name5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidine
SMILESCN1CCC[C@H]1c1ncc(-c2ccc(-c3ncc(-c4cnc([C@@H]5CCCN5C)[nH]4)cn3)cc2)[nH]1
InChIInChI=1S/C26H30N8/c1-33-11-3-5-22(33)25-29-15-20(31-25)17-7-9-18(10-8-17)24-27-13-19(14-28-24)21-16-30-26(32-21)23-6-4-12-34(23)2/h7-10,13-16,22-23H,3-6,11-12H2,1-2H3,(H,29,31)(H,30,32)/t22-,23-/m0/s1
InChIKeyIGWGRDYIWLBUSH-GOTSBHOMSA-N
XLogP4.46
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]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

5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-2-(1-methylpyrrolidin-2-yl)-1H-imidazole
CID 129019197
2-(1-methylpyrrolidin-2-yl)-5-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1H-imidazole
CID 144563616
[(2S)-2-[5-[4-[4-[2-(1-phosphanylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]phosphane
CID 126554399
9,9-dimethyl-7-[4-[2-(1-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]fluoren-2-amine
CID 129126007
(2R)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 57339472
5-(7-bromo-9,9-difluorofluoren-2-yl)-2-(1-methylpyrrolidin-2-yl)-1H-imidazole
CID 91157040
tert-butyl 2-[5-[4-(5-bromopyrimidin-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 123276464
5-[6-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-2-nitroaniline
CID 118244741
tert-butyl (2S)-2-[5-[2-[4-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 71125759
5-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine
CID 67361067
4-[[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]methyl]piperidine
CID 119932633
1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 162721818

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidine?
The IUPAC name of 5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidine (CID 143630216) is 5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidine.
What is the SMILES notation for 5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidine?
The canonical SMILES for 5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidine is CN1CCC[C@H]1c1ncc(-c2ccc(-c3ncc(-c4cnc([C@@H]5CCCN5C)[nH]4)cn3)cc2)[nH]1.
What is the InChIKey of 5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidine?
The InChIKey is IGWGRDYIWLBUSH-GOTSBHOMSA-N. The full InChI is InChI=1S/C26H30N8/c1-33-11-3-5-22(33)25-29-15-20(31-25)17-7-9-18(10-8-17)24-27-13-19(14-28-24)21-16-30-26(32-21)23-6-4-12-34(23)2/h7-10,13-16,22-23H,3-6,11-12H2,1-2H3,(H,29,31)(H,30,32)/t22-,23-/m0/s1.
What are the key properties of 5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidine?
5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidine has a molecular weight of 454.58 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidine is sourced from PubChem (CID 143630216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).