1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol

C19H20N4O2 — CID 91539299

IUPAC1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol
SMILESCc1c(O)c(O)n(CCCn2ccnc2)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C19H20N4O2/c1-13-17(15-11-21-16-6-3-2-5-14(15)16)23(19(25)18(13)24)9-4-8-22-10-7-20-12-22/h2-3,5-7,10-12,21,24-25H,4,8-9H2,1H3
InChIKeyTXJMIVAQERUBPW-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.64
Rot. Bonds5

About 1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol

1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol (PubChem CID 91539299) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol
PubChem CID91539299
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol
SMILESCc1c(O)c(O)n(CCCn2ccnc2)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C19H20N4O2/c1-13-17(15-11-21-16-6-3-2-5-14(15)16)23(19(25)18(13)24)9-4-8-22-10-7-20-12-22/h2-3,5-7,10-12,21,24-25H,4,8-9H2,1H3
InChIKeyTXJMIVAQERUBPW-UHFFFAOYSA-N
XLogP3.64
TPSA79.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrrole-2,3-diol
CID 91546104
1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol
CID 90890564
5-(2-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol
CID 91140340
1-(3-imidazol-1-ylpropyl)-4-pentyl-5-phenylpyrrole-2,3-diol
CID 91392022
5-(3,4-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
CID 90763889
1-(3-imidazol-1-ylpropyl)-5-(5-methylfuran-2-yl)-4-phenylpyrrole-2,3-diol
CID 90805674
1-(3-imidazol-1-ylpropyl)-4-phenyl-5-pyridin-4-ylpyrrole-2,3-diol
CID 136641839
4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-2-pentyl-2H-pyrrol-5-one
CID 68992339
5-(1H-imidazol-2-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
CID 136659472
1-(3-imidazol-1-ylpropyl)-4-pentyl-5-pyridin-2-ylpyrrole-2,3-diol
CID 136646820
5-(hydroxymethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione
CID 123495559
5-[5-(hydroxymethyl)furan-2-yl]-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
CID 91311586

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol (CID 91539299) is 1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol is Cc1c(O)c(O)n(CCCn2ccnc2)c1-c1c[nH]c2ccccc12.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol?
The InChIKey is TXJMIVAQERUBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-17(15-11-21-16-6-3-2-5-14(15)16)23(19(25)18(13)24)9-4-8-22-10-7-20-12-22/h2-3,5-7,10-12,21,24-25H,4,8-9H2,1H3.
What are the key properties of 1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol?
1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol has a molecular weight of 336.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol is sourced from PubChem (CID 91539299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).