1-benzyl-4-(1-benzylpyrrol-2-yl)-2-methylpyrrole

C23H22N2 — CID 160626063

IUPAC1-benzyl-4-(1-benzylpyrrol-2-yl)-2-methylpyrrole
SMILESCc1cc(-c2cccn2Cc2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C23H22N2/c1-19-15-22(18-25(19)17-21-11-6-3-7-12-21)23-13-8-14-24(23)16-20-9-4-2-5-10-20/h2-15,18H,16-17H2,1H3
InChIKeyRHHUAKSKQTZJNB-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.36
Rot. Bonds5

About 1-benzyl-4-(1-benzylpyrrol-2-yl)-2-methylpyrrole

1-benzyl-4-(1-benzylpyrrol-2-yl)-2-methylpyrrole (PubChem CID 160626063) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-benzyl-4-(1-benzylpyrrol-2-yl)-2-methylpyrrole.

Molecular Properties

Compound Name1-benzyl-4-(1-benzylpyrrol-2-yl)-2-methylpyrrole
PubChem CID160626063
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name1-benzyl-4-(1-benzylpyrrol-2-yl)-2-methylpyrrole
SMILESCc1cc(-c2cccn2Cc2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C23H22N2/c1-19-15-22(18-25(19)17-21-11-6-3-7-12-21)23-13-8-14-24(23)16-20-9-4-2-5-10-20/h2-15,18H,16-17H2,1H3
InChIKeyRHHUAKSKQTZJNB-UHFFFAOYSA-N
XLogP5.36
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-methylpyridin-4-one
CID 154013206
1-benzyl-2-chloro-4-methylpyrrole
CID 139840309
1-benzyl-4-deuterio-2-phenylpyrrole
CID 102256232
1-benzyl-2-iodopyrrole
CID 139840262
1-[(3,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole
CID 174871893
1-benzyl-2-methylsulfanylpyrrole
CID 15638991
1,2-dibenzylpyrrole
CID 15912413
1-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole
CID 174871895
4-(1-benzylpyrrol-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 126729679
4-benzylimidazo[4,5-b]pyridine
CID 10035996
2-(2-phenylpyrrol-1-yl)ethanamine
CID 19095276
1-benzyl-6,7-difluoroindeno[2,1-b]pyridine
CID 132522373

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(1-benzylpyrrol-2-yl)-2-methylpyrrole?
The IUPAC name of 1-benzyl-4-(1-benzylpyrrol-2-yl)-2-methylpyrrole (CID 160626063) is 1-benzyl-4-(1-benzylpyrrol-2-yl)-2-methylpyrrole.
What is the SMILES notation for 1-benzyl-4-(1-benzylpyrrol-2-yl)-2-methylpyrrole?
The canonical SMILES for 1-benzyl-4-(1-benzylpyrrol-2-yl)-2-methylpyrrole is Cc1cc(-c2cccn2Cc2ccccc2)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-(1-benzylpyrrol-2-yl)-2-methylpyrrole?
The InChIKey is RHHUAKSKQTZJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2/c1-19-15-22(18-25(19)17-21-11-6-3-7-12-21)23-13-8-14-24(23)16-20-9-4-2-5-10-20/h2-15,18H,16-17H2,1H3.
What are the key properties of 1-benzyl-4-(1-benzylpyrrol-2-yl)-2-methylpyrrole?
1-benzyl-4-(1-benzylpyrrol-2-yl)-2-methylpyrrole has a molecular weight of 326.44 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(1-benzylpyrrol-2-yl)-2-methylpyrrole is sourced from PubChem (CID 160626063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).