5-(2-methylpyrazol-3-yl)-2-pyrrolidin-2-yl-4-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole

C30H32N8 — CID 137161948

IUPAC5-(2-methylpyrazol-3-yl)-2-pyrrolidin-2-yl-4-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole
SMILESCn1nccc1-c1[nH]c(C2CCCN2)nc1-c1ccc(-c2ccc(-c3cnc(C4CCCN4)[nH]3)cc2)cc1
InChIInChI=1S/C30H32N8/c1-38-26(14-17-34-38)28-27(36-30(37-28)24-5-3-16-32-24)22-12-8-20(9-13-22)19-6-10-21(11-7-19)25-18-33-29(35-25)23-4-2-15-31-23/h6-14,17-18,23-24,31-32H,2-5,15-16H2,1H3,(H,33,35)(H,36,37)
InChIKeyOCURGEUCTJLDPK-UHFFFAOYSA-N
MW504.64 g/mol
LogP5.38
Rot. Bonds6

About 5-(2-methylpyrazol-3-yl)-2-pyrrolidin-2-yl-4-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole

5-(2-methylpyrazol-3-yl)-2-pyrrolidin-2-yl-4-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole (PubChem CID 137161948) has the molecular formula C30H32N8 and a molecular weight of 504.64 g/mol. Its IUPAC name is 5-(2-methylpyrazol-3-yl)-2-pyrrolidin-2-yl-4-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-(2-methylpyrazol-3-yl)-2-pyrrolidin-2-yl-4-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole
PubChem CID137161948
Molecular FormulaC30H32N8
Molecular Weight504.64 g/mol
Exact Mass504.27
IUPAC Name5-(2-methylpyrazol-3-yl)-2-pyrrolidin-2-yl-4-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole
SMILESCn1nccc1-c1[nH]c(C2CCCN2)nc1-c1ccc(-c2ccc(-c3cnc(C4CCCN4)[nH]3)cc2)cc1
InChIInChI=1S/C30H32N8/c1-38-26(14-17-34-38)28-27(36-30(37-28)24-5-3-16-32-24)22-12-8-20(9-13-22)19-6-10-21(11-7-19)25-18-33-29(35-25)23-4-2-15-31-23/h6-14,17-18,23-24,31-32H,2-5,15-16H2,1H3,(H,33,35)(H,36,37)
InChIKeyOCURGEUCTJLDPK-UHFFFAOYSA-N
XLogP5.38
TPSA99.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.64
LogP ≤ 55.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 71459516
1-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)-1H-pyrazole
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2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
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4-[1-hydroxy-5-(2-phenyl-1H-imidazol-5-yl)pyrazol-4-yl]piperidine
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N-[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]-N-[(1-methyl-1H-imidazol-2-yl)methyl]propan-2-amine
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5-[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]-1-methylpyrazole
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(1S,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 71457622
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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrazol-3-yl)-2-pyrrolidin-2-yl-4-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole?
The IUPAC name of 5-(2-methylpyrazol-3-yl)-2-pyrrolidin-2-yl-4-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole (CID 137161948) is 5-(2-methylpyrazol-3-yl)-2-pyrrolidin-2-yl-4-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole.
What is the SMILES notation for 5-(2-methylpyrazol-3-yl)-2-pyrrolidin-2-yl-4-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole?
The canonical SMILES for 5-(2-methylpyrazol-3-yl)-2-pyrrolidin-2-yl-4-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole is Cn1nccc1-c1[nH]c(C2CCCN2)nc1-c1ccc(-c2ccc(-c3cnc(C4CCCN4)[nH]3)cc2)cc1.
What is the InChIKey of 5-(2-methylpyrazol-3-yl)-2-pyrrolidin-2-yl-4-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole?
The InChIKey is OCURGEUCTJLDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8/c1-38-26(14-17-34-38)28-27(36-30(37-28)24-5-3-16-32-24)22-12-8-20(9-13-22)19-6-10-21(11-7-19)25-18-33-29(35-25)23-4-2-15-31-23/h6-14,17-18,23-24,31-32H,2-5,15-16H2,1H3,(H,33,35)(H,36,37).
What are the key properties of 5-(2-methylpyrazol-3-yl)-2-pyrrolidin-2-yl-4-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole?
5-(2-methylpyrazol-3-yl)-2-pyrrolidin-2-yl-4-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole has a molecular weight of 504.64 g/mol, XLogP of 5.38, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrazol-3-yl)-2-pyrrolidin-2-yl-4-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole is sourced from PubChem (CID 137161948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).