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

C20H25N5 — CID 129344593

IUPAC3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCn1c([C@H]2CCCN2Cc2cnc3ccccn23)nc2c1CCCC2
InChIInChI=1S/C20H25N5/c1-23-17-8-3-2-7-16(17)22-20(23)18-9-6-11-24(18)14-15-13-21-19-10-4-5-12-25(15)19/h4-5,10,12-13,18H,2-3,6-9,11,14H2,1H3/t18-/m1/s1
InChIKeyZWGSBQIDBZMQDC-GOSISDBHSA-N
MW335.45 g/mol
LogP3.28
Rot. Bonds3

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

3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 129344593) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID129344593
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC Name3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCn1c([C@H]2CCCN2Cc2cnc3ccccn23)nc2c1CCCC2
InChIInChI=1S/C20H25N5/c1-23-17-8-3-2-7-16(17)22-20(23)18-9-6-11-24(18)14-15-13-21-19-10-4-5-12-25(15)19/h4-5,10,12-13,18H,2-3,6-9,11,14H2,1H3/t18-/m1/s1
InChIKeyZWGSBQIDBZMQDC-GOSISDBHSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 129344593) is 3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine is Cn1c([C@H]2CCCN2Cc2cnc3ccccn23)nc2c1CCCC2.
What is the InChIKey of 3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is ZWGSBQIDBZMQDC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N5/c1-23-17-8-3-2-7-16(17)22-20(23)18-9-6-11-24(18)14-15-13-21-19-10-4-5-12-25(15)19/h4-5,10,12-13,18H,2-3,6-9,11,14H2,1H3/t18-/m1/s1.
What are the key properties of 3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine?
3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 335.45 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 129344593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).