(2Z)-5-bromo-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole

C20H18BrN3O — CID 59791446

IUPAC(2Z)-5-bromo-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole
SMILESCOc1c/c(=C2\C=c3cc(Br)ccc3=N2)[nH]/c1=C\c1[nH]c(C)cc1C
InChIInChI=1S/C20H18BrN3O/c1-11-6-12(2)22-16(11)9-19-20(25-3)10-18(24-19)17-8-13-7-14(21)4-5-15(13)23-17/h4-10,22,24H,1-3H3/b18-17-,19-9-
InChIKeyIWHFZKRVKBKGFW-WYGGCRADSA-N
MW396.29 g/mol
LogP1.78
Rot. Bonds2

About (2Z)-5-bromo-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole

(2Z)-5-bromo-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole (PubChem CID 59791446) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is (2Z)-5-bromo-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole.

Molecular Properties

Compound Name(2Z)-5-bromo-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole
PubChem CID59791446
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC Name(2Z)-5-bromo-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole
SMILESCOc1c/c(=C2\C=c3cc(Br)ccc3=N2)[nH]/c1=C\c1[nH]c(C)cc1C
InChIInChI=1S/C20H18BrN3O/c1-11-6-12(2)22-16(11)9-19-20(25-3)10-18(24-19)17-8-13-7-14(21)4-5-15(13)23-17/h4-10,22,24H,1-3H3/b18-17-,19-9-
InChIKeyIWHFZKRVKBKGFW-WYGGCRADSA-N
XLogP1.78
TPSA53.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z)-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole
CID 11404337
2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;hydrochloride
CID 132989623
(5Z)-2-bromo-5-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]thieno[2,3-b]pyrrole
CID 71549839
2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]-5-fluoroindole
CID 66751012
2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-propan-2-yloxypyrrol-2-ylidene]indol-6-ol
CID 136503833
1-[5-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]thieno[3,2-b]pyrrol-2-yl]ethanol
CID 149435892
2-[5-[(4-iodo-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole
CID 66750908
(2Z)-2-[(5Z)-4-methoxy-5-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)pyrrol-2-ylidene]indole
CID 56945480
(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(2,3,4-trimethoxyphenyl)pyrrole
CID 11703388
2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-N,N-dimethylindole-1-carboxamide;2-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]ethanol;[2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]indol-1-yl]-phenylmethanone;3-[5-[(Z)-(5-indol-2-ylidene-3-methoxypyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-ol
CID 158805742
4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(2-methoxy-3-methylphenyl)-1,3-oxazol-5-one
CID 4648214
2-[2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethoxypyrrol-2-ylidene]indol-3-yl]-N,N-dimethylethanamine
CID 66750934

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-bromo-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole?
The IUPAC name of (2Z)-5-bromo-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole (CID 59791446) is (2Z)-5-bromo-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole.
What is the SMILES notation for (2Z)-5-bromo-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole?
The canonical SMILES for (2Z)-5-bromo-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole is COc1c/c(=C2\C=c3cc(Br)ccc3=N2)[nH]/c1=C\c1[nH]c(C)cc1C.
What is the InChIKey of (2Z)-5-bromo-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole?
The InChIKey is IWHFZKRVKBKGFW-WYGGCRADSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-11-6-12(2)22-16(11)9-19-20(25-3)10-18(24-19)17-8-13-7-14(21)4-5-15(13)23-17/h4-10,22,24H,1-3H3/b18-17-,19-9-.
What are the key properties of (2Z)-5-bromo-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole?
(2Z)-5-bromo-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole has a molecular weight of 396.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-bromo-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole is sourced from PubChem (CID 59791446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).