5-[[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine

C20H25N5 — CID 129488793

IUPAC5-[[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCc1nc2c(n1[C@@H]1CCN(Cc3cccc4nccn34)C1)CCCC2
InChIInChI=1S/C20H25N5/c1-15-22-18-6-2-3-7-19(18)25(15)17-9-11-23(14-17)13-16-5-4-8-20-21-10-12-24(16)20/h4-5,8,10,12,17H,2-3,6-7,9,11,13-14H2,1H3/t17-/m1/s1
InChIKeyOUUQGVNPNZLSCT-QGZVFWFLSA-N
MW335.45 g/mol
LogP3.17
Rot. Bonds3

About 5-[[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine

5-[[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 129488793) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is 5-[[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-[[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID129488793
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC Name5-[[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCc1nc2c(n1[C@@H]1CCN(Cc3cccc4nccn34)C1)CCCC2
InChIInChI=1S/C20H25N5/c1-15-22-18-6-2-3-7-19(18)25(15)17-9-11-23(14-17)13-16-5-4-8-20-21-10-12-24(16)20/h4-5,8,10,12,17H,2-3,6-7,9,11,13-14H2,1H3/t17-/m1/s1
InChIKeyOUUQGVNPNZLSCT-QGZVFWFLSA-N
XLogP3.17
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 5-[[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 129488793) is 5-[[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-[[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 5-[[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine is Cc1nc2c(n1[C@@H]1CCN(Cc3cccc4nccn34)C1)CCCC2.
What is the InChIKey of 5-[[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is OUUQGVNPNZLSCT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N5/c1-15-22-18-6-2-3-7-19(18)25(15)17-9-11-23(14-17)13-16-5-4-8-20-21-10-12-24(16)20/h4-5,8,10,12,17H,2-3,6-7,9,11,13-14H2,1H3/t17-/m1/s1.
What are the key properties of 5-[[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine?
5-[[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 335.45 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 129488793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).