(5S)-5-methyl-1-(1-methylpyrrol-2-yl)-2,3-diphenyl-4-propan-2-ylimidazolidine

C24H29N3 — CID 162705971

IUPAC(5S)-5-methyl-1-(1-methylpyrrol-2-yl)-2,3-diphenyl-4-propan-2-ylimidazolidine
SMILESCC(C)C1[C@H](C)N(c2cccn2C)C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C24H29N3/c1-18(2)23-19(3)26(22-16-11-17-25(22)4)24(20-12-7-5-8-13-20)27(23)21-14-9-6-10-15-21/h5-19,23-24H,1-4H3/t19-,23?,24?/m0/s1
InChIKeyVPAPIAHVHGTNDP-HLJPNSHOSA-N
MW359.52 g/mol
LogP5.46
Rot. Bonds4

About (5S)-5-methyl-1-(1-methylpyrrol-2-yl)-2,3-diphenyl-4-propan-2-ylimidazolidine

(5S)-5-methyl-1-(1-methylpyrrol-2-yl)-2,3-diphenyl-4-propan-2-ylimidazolidine (PubChem CID 162705971) has the molecular formula C24H29N3 and a molecular weight of 359.52 g/mol. Its IUPAC name is (5S)-5-methyl-1-(1-methylpyrrol-2-yl)-2,3-diphenyl-4-propan-2-ylimidazolidine.

Molecular Properties

Compound Name(5S)-5-methyl-1-(1-methylpyrrol-2-yl)-2,3-diphenyl-4-propan-2-ylimidazolidine
PubChem CID162705971
Molecular FormulaC24H29N3
Molecular Weight359.52 g/mol
Exact Mass359.24
IUPAC Name(5S)-5-methyl-1-(1-methylpyrrol-2-yl)-2,3-diphenyl-4-propan-2-ylimidazolidine
SMILESCC(C)C1[C@H](C)N(c2cccn2C)C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C24H29N3/c1-18(2)23-19(3)26(22-16-11-17-25(22)4)24(20-12-7-5-8-13-20)27(23)21-14-9-6-10-15-21/h5-19,23-24H,1-4H3/t19-,23?,24?/m0/s1
InChIKeyVPAPIAHVHGTNDP-HLJPNSHOSA-N
XLogP5.46
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.52
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-1-(1-methylpyrrol-2-yl)-2,3-diphenyl-4-propan-2-ylimidazolidine?
The IUPAC name of (5S)-5-methyl-1-(1-methylpyrrol-2-yl)-2,3-diphenyl-4-propan-2-ylimidazolidine (CID 162705971) is (5S)-5-methyl-1-(1-methylpyrrol-2-yl)-2,3-diphenyl-4-propan-2-ylimidazolidine.
What is the SMILES notation for (5S)-5-methyl-1-(1-methylpyrrol-2-yl)-2,3-diphenyl-4-propan-2-ylimidazolidine?
The canonical SMILES for (5S)-5-methyl-1-(1-methylpyrrol-2-yl)-2,3-diphenyl-4-propan-2-ylimidazolidine is CC(C)C1[C@H](C)N(c2cccn2C)C(c2ccccc2)N1c1ccccc1.
What is the InChIKey of (5S)-5-methyl-1-(1-methylpyrrol-2-yl)-2,3-diphenyl-4-propan-2-ylimidazolidine?
The InChIKey is VPAPIAHVHGTNDP-HLJPNSHOSA-N. The full InChI is InChI=1S/C24H29N3/c1-18(2)23-19(3)26(22-16-11-17-25(22)4)24(20-12-7-5-8-13-20)27(23)21-14-9-6-10-15-21/h5-19,23-24H,1-4H3/t19-,23?,24?/m0/s1.
What are the key properties of (5S)-5-methyl-1-(1-methylpyrrol-2-yl)-2,3-diphenyl-4-propan-2-ylimidazolidine?
(5S)-5-methyl-1-(1-methylpyrrol-2-yl)-2,3-diphenyl-4-propan-2-ylimidazolidine has a molecular weight of 359.52 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-1-(1-methylpyrrol-2-yl)-2,3-diphenyl-4-propan-2-ylimidazolidine is sourced from PubChem (CID 162705971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).