2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole

C19H25N5O — CID 95751027

IUPAC2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole
SMILESCOc1c([C@H]2CCCN2Cc2nc3ccccc3n2C)c(C)nn1C
InChIInChI=1S/C19H25N5O/c1-13-18(19(25-4)23(3)21-13)16-10-7-11-24(16)12-17-20-14-8-5-6-9-15(14)22(17)2/h5-6,8-9,16H,7,10-12H2,1-4H3/t16-/m1/s1
InChIKeyKPFRZDXRAKYMIM-MRXNPFEDSA-N
MW339.44 g/mol
LogP2.96
Rot. Bonds4

About 2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole

2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole (PubChem CID 95751027) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole
PubChem CID95751027
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole
SMILESCOc1c([C@H]2CCCN2Cc2nc3ccccc3n2C)c(C)nn1C
InChIInChI=1S/C19H25N5O/c1-13-18(19(25-4)23(3)21-13)16-10-7-11-24(16)12-17-20-14-8-5-6-9-15(14)22(17)2/h5-6,8-9,16H,7,10-12H2,1-4H3/t16-/m1/s1
InChIKeyKPFRZDXRAKYMIM-MRXNPFEDSA-N
XLogP2.96
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-4-[(2R)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-1,3-dimethylpyrazole
CID 95750913
(1S)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-phenylethanol
CID 100842107
1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole
CID 124943222
4-fluoro-2-[[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1H-benzimidazole
CID 95751044
(2S)-1-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-phenoxypropan-2-ol
CID 95750946
(1R)-1-(2-fluorophenyl)-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 95750977
(1S)-1-(2-chlorophenyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 100842127
2-(furan-2-yl)-5-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95750889
N-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 125011127
2-[2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 95751012
2-[[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 95751032
(1S)-1-(4-fluorophenyl)-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 100842121

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole?
The IUPAC name of 2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole (CID 95751027) is 2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole is COc1c([C@H]2CCCN2Cc2nc3ccccc3n2C)c(C)nn1C.
What is the InChIKey of 2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole?
The InChIKey is KPFRZDXRAKYMIM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-18(19(25-4)23(3)21-13)16-10-7-11-24(16)12-17-20-14-8-5-6-9-15(14)22(17)2/h5-6,8-9,16H,7,10-12H2,1-4H3/t16-/m1/s1.
What are the key properties of 2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole?
2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole has a molecular weight of 339.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole is sourced from PubChem (CID 95751027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).