2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-ethylbenzimidazole

C23H31N5O — CID 133412290

IUPAC2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-ethylbenzimidazole
SMILESCCn1c(C2CCCN2c2cc(COC)nc(C(C)(C)C)n2)nc2ccccc21
InChIInChI=1S/C23H31N5O/c1-6-27-18-11-8-7-10-17(18)25-21(27)19-12-9-13-28(19)20-14-16(15-29-5)24-22(26-20)23(2,3)4/h7-8,10-11,14,19H,6,9,12-13,15H2,1-5H3
InChIKeyFBQDAXAYTGHLJA-UHFFFAOYSA-N
MW393.54 g/mol
LogP4.63
Rot. Bonds5

About 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-ethylbenzimidazole

2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-ethylbenzimidazole (PubChem CID 133412290) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-ethylbenzimidazole.

Molecular Properties

Compound Name2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-ethylbenzimidazole
PubChem CID133412290
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-ethylbenzimidazole
SMILESCCn1c(C2CCCN2c2cc(COC)nc(C(C)(C)C)n2)nc2ccccc21
InChIInChI=1S/C23H31N5O/c1-6-27-18-11-8-7-10-17(18)25-21(27)19-12-9-13-28(19)20-14-16(15-29-5)24-22(26-20)23(2,3)4/h7-8,10-11,14,19H,6,9,12-13,15H2,1-5H3
InChIKeyFBQDAXAYTGHLJA-UHFFFAOYSA-N
XLogP4.63
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-4-[2-(1H-imidazol-2-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
CID 133412099
6-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 133429827
7-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 96997339
7-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71855460
1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole
CID 97013821
4-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133472301
1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole
CID 71859415
2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95286829
1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole
CID 71974480
(2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol
CID 111970121
2-[[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 71974479
1-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-3-yl]azepane
CID 133401629

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-ethylbenzimidazole?
The IUPAC name of 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-ethylbenzimidazole (CID 133412290) is 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-ethylbenzimidazole.
What is the SMILES notation for 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-ethylbenzimidazole?
The canonical SMILES for 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-ethylbenzimidazole is CCn1c(C2CCCN2c2cc(COC)nc(C(C)(C)C)n2)nc2ccccc21.
What is the InChIKey of 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-ethylbenzimidazole?
The InChIKey is FBQDAXAYTGHLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-6-27-18-11-8-7-10-17(18)25-21(27)19-12-9-13-28(19)20-14-16(15-29-5)24-22(26-20)23(2,3)4/h7-8,10-11,14,19H,6,9,12-13,15H2,1-5H3.
What are the key properties of 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-ethylbenzimidazole?
2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-ethylbenzimidazole has a molecular weight of 393.54 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-ethylbenzimidazole is sourced from PubChem (CID 133412290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).