1-ethyl-2-(3-ethylpyrrolidin-3-yl)-5-methylbenzimidazole

C16H23N3 — CID 63144236

IUPAC1-ethyl-2-(3-ethylpyrrolidin-3-yl)-5-methylbenzimidazole
SMILESCCn1c(C2(CC)CCNC2)nc2cc(C)ccc21
InChIInChI=1S/C16H23N3/c1-4-16(8-9-17-11-16)15-18-13-10-12(3)6-7-14(13)19(15)5-2/h6-7,10,17H,4-5,8-9,11H2,1-3H3
InChIKeySXWFERKXWNCBRO-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.01
Rot. Bonds3

About 1-ethyl-2-(3-ethylpyrrolidin-3-yl)-5-methylbenzimidazole

1-ethyl-2-(3-ethylpyrrolidin-3-yl)-5-methylbenzimidazole (PubChem CID 63144236) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-ethyl-2-(3-ethylpyrrolidin-3-yl)-5-methylbenzimidazole.

Molecular Properties

Compound Name1-ethyl-2-(3-ethylpyrrolidin-3-yl)-5-methylbenzimidazole
PubChem CID63144236
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-ethyl-2-(3-ethylpyrrolidin-3-yl)-5-methylbenzimidazole
SMILESCCn1c(C2(CC)CCNC2)nc2cc(C)ccc21
InChIInChI=1S/C16H23N3/c1-4-16(8-9-17-11-16)15-18-13-10-12(3)6-7-14(13)19(15)5-2/h6-7,10,17H,4-5,8-9,11H2,1-3H3
InChIKeySXWFERKXWNCBRO-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-ethylpyrrolidin-3-yl)-5-methylbenzimidazole?
The IUPAC name of 1-ethyl-2-(3-ethylpyrrolidin-3-yl)-5-methylbenzimidazole (CID 63144236) is 1-ethyl-2-(3-ethylpyrrolidin-3-yl)-5-methylbenzimidazole.
What is the SMILES notation for 1-ethyl-2-(3-ethylpyrrolidin-3-yl)-5-methylbenzimidazole?
The canonical SMILES for 1-ethyl-2-(3-ethylpyrrolidin-3-yl)-5-methylbenzimidazole is CCn1c(C2(CC)CCNC2)nc2cc(C)ccc21.
What is the InChIKey of 1-ethyl-2-(3-ethylpyrrolidin-3-yl)-5-methylbenzimidazole?
The InChIKey is SXWFERKXWNCBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-16(8-9-17-11-16)15-18-13-10-12(3)6-7-14(13)19(15)5-2/h6-7,10,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-ethyl-2-(3-ethylpyrrolidin-3-yl)-5-methylbenzimidazole?
1-ethyl-2-(3-ethylpyrrolidin-3-yl)-5-methylbenzimidazole has a molecular weight of 257.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-ethylpyrrolidin-3-yl)-5-methylbenzimidazole is sourced from PubChem (CID 63144236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).