2-[(2R)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole

C17H23N5O — CID 129476738

IUPAC2-[(2R)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCOc1ccnc(N2CCC[C@@H]2c2nc3c(n2C)CCCC3)n1
InChIInChI=1S/C17H23N5O/c1-21-13-7-4-3-6-12(13)19-16(21)14-8-5-11-22(14)17-18-10-9-15(20-17)23-2/h9-10,14H,3-8,11H2,1-2H3/t14-/m1/s1
InChIKeyZIOVESKWJNDSLJ-CQSZACIVSA-N
MW313.40 g/mol
LogP2.44
Rot. Bonds3

About 2-[(2R)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole

2-[(2R)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 129476738) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(2R)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name2-[(2R)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID129476738
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-[(2R)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCOc1ccnc(N2CCC[C@@H]2c2nc3c(n2C)CCCC3)n1
InChIInChI=1S/C17H23N5O/c1-21-13-7-4-3-6-12(13)19-16(21)14-8-5-11-22(14)17-18-10-9-15(20-17)23-2/h9-10,14H,3-8,11H2,1-2H3/t14-/m1/s1
InChIKeyZIOVESKWJNDSLJ-CQSZACIVSA-N
XLogP2.44
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 129333984
4-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]benzonitrile
CID 129476692
4-methoxy-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
CID 167992138
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole
CID 97223902
(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 93274420
2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol
CID 97075977
2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-methoxypyrimidine
CID 40988055
2-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924819
2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 128978251
3-ethyl-5-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 129475610
5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 128977963

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 2-[(2R)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole (CID 129476738) is 2-[(2R)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 2-[(2R)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 2-[(2R)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole is COc1ccnc(N2CCC[C@@H]2c2nc3c(n2C)CCCC3)n1.
What is the InChIKey of 2-[(2R)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is ZIOVESKWJNDSLJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5O/c1-21-13-7-4-3-6-12(13)19-16(21)14-8-5-11-22(14)17-18-10-9-15(20-17)23-2/h9-10,14H,3-8,11H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-[(2R)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole?
2-[(2R)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 313.40 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 129476738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).