3-methyl-1-(2-pyrrolidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one

C14H22N4O — CID 116982754

IUPAC3-methyl-1-(2-pyrrolidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one
SMILESCN1C(=O)N(CCC2CCNC2)CC1c1cc[nH]c1
InChIInChI=1S/C14H22N4O/c1-17-13(12-3-6-16-9-12)10-18(14(17)19)7-4-11-2-5-15-8-11/h3,6,9,11,13,15-16H,2,4-5,7-8,10H2,1H3
InChIKeyRZHWCBHSKUBOJR-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.42
Rot. Bonds4

About 3-methyl-1-(2-pyrrolidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one

3-methyl-1-(2-pyrrolidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one (PubChem CID 116982754) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-methyl-1-(2-pyrrolidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-pyrrolidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one
PubChem CID116982754
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-methyl-1-(2-pyrrolidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one
SMILESCN1C(=O)N(CCC2CCNC2)CC1c1cc[nH]c1
InChIInChI=1S/C14H22N4O/c1-17-13(12-3-6-16-9-12)10-18(14(17)19)7-4-11-2-5-15-8-11/h3,6,9,11,13,15-16H,2,4-5,7-8,10H2,1H3
InChIKeyRZHWCBHSKUBOJR-UHFFFAOYSA-N
XLogP1.42
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-pyrrolidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one?
The IUPAC name of 3-methyl-1-(2-pyrrolidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one (CID 116982754) is 3-methyl-1-(2-pyrrolidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one.
What is the SMILES notation for 3-methyl-1-(2-pyrrolidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one?
The canonical SMILES for 3-methyl-1-(2-pyrrolidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one is CN1C(=O)N(CCC2CCNC2)CC1c1cc[nH]c1.
What is the InChIKey of 3-methyl-1-(2-pyrrolidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one?
The InChIKey is RZHWCBHSKUBOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-13(12-3-6-16-9-12)10-18(14(17)19)7-4-11-2-5-15-8-11/h3,6,9,11,13,15-16H,2,4-5,7-8,10H2,1H3.
What are the key properties of 3-methyl-1-(2-pyrrolidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one?
3-methyl-1-(2-pyrrolidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-pyrrolidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one is sourced from PubChem (CID 116982754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).