6-chloro-5'-(5-chloro-2-methylphenyl)-5-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-2H-pyrrolo[3,4-c]pyrrole]-2,6'-dione

C31H25Cl2N5O4 — CID 129097102

IUPAC6-chloro-5'-(5-chloro-2-methylphenyl)-5-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-2H-pyrrolo[3,4-c]pyrrole]-2,6'-dione
SMILESCOc1cc2[nH]c(=O)[nH]c2cc1-c1cc2c(cc1Cl)NC(=O)C21c2c(c[nH]c2C(C)C)C(=O)N1c1cc(Cl)ccc1C
InChIInChI=1S/C31H25Cl2N5O4/c1-13(2)27-26-18(12-34-27)28(39)38(24-7-15(32)6-5-14(24)3)31(26)19-8-16(20(33)10-21(19)35-29(31)40)17-9-22-23(11-25(17)42-4)37-30(41)36-22/h5-13,34H,1-4H3,(H,35,40)(H2,36,37,41)
InChIKeyHOLJPUPXCDMQBC-UHFFFAOYSA-N
MW602.48 g/mol
LogP6.45
Rot. Bonds4

About 6-chloro-5'-(5-chloro-2-methylphenyl)-5-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-2H-pyrrolo[3,4-c]pyrrole]-2,6'-dione

6-chloro-5'-(5-chloro-2-methylphenyl)-5-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-2H-pyrrolo[3,4-c]pyrrole]-2,6'-dione (PubChem CID 129097102) has the molecular formula C31H25Cl2N5O4 and a molecular weight of 602.48 g/mol. Its IUPAC name is 6-chloro-5'-(5-chloro-2-methylphenyl)-5-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-2H-pyrrolo[3,4-c]pyrrole]-2,6'-dione.

Molecular Properties

Compound Name6-chloro-5'-(5-chloro-2-methylphenyl)-5-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-2H-pyrrolo[3,4-c]pyrrole]-2,6'-dione
PubChem CID129097102
Molecular FormulaC31H25Cl2N5O4
Molecular Weight602.48 g/mol
Exact Mass601.13
IUPAC Name6-chloro-5'-(5-chloro-2-methylphenyl)-5-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-2H-pyrrolo[3,4-c]pyrrole]-2,6'-dione
SMILESCOc1cc2[nH]c(=O)[nH]c2cc1-c1cc2c(cc1Cl)NC(=O)C21c2c(c[nH]c2C(C)C)C(=O)N1c1cc(Cl)ccc1C
InChIInChI=1S/C31H25Cl2N5O4/c1-13(2)27-26-18(12-34-27)28(39)38(24-7-15(32)6-5-14(24)3)31(26)19-8-16(20(33)10-21(19)35-29(31)40)17-9-22-23(11-25(17)42-4)37-30(41)36-22/h5-13,34H,1-4H3,(H,35,40)(H2,36,37,41)
InChIKeyHOLJPUPXCDMQBC-UHFFFAOYSA-N
XLogP6.45
TPSA123.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.48
LogP ≤ 56.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrrole]-2,6'-dione
CID 129120408
(3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-methoxy-6-methyl-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 150976754
6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(3-methoxy-4-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrazole]-2,6'-dione
CID 129097098
(3S)-2'-(4-amino-2-methoxy-5-methylphenyl)-6-chloro-5'-(5-chloro-2-methylphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 156656616
(3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[(3S,4R)-3-methoxypiperidin-4-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrrole]-2,6'-dione
CID 118578421
(3S)-6-chloro-5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2,4-dimethoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrrole]-2,6'-dione
CID 129097057
6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(2,4-dimethoxyphenyl)-3'-(1-hydroxypropan-2-yl)spiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 142613124
(3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(3-methoxy-4-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 156656641
6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-ethoxy-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 142613142
(3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-ethoxy-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 156656603
(3S)-6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(4-cyclopropyl-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 156656556
6-chloro-5'-(5-chloro-2-methylphenyl)-2'-[6-(difluoromethoxy)-4-methoxy-3-pyridinyl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 142613137

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5'-(5-chloro-2-methylphenyl)-5-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-2H-pyrrolo[3,4-c]pyrrole]-2,6'-dione?
The IUPAC name of 6-chloro-5'-(5-chloro-2-methylphenyl)-5-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-2H-pyrrolo[3,4-c]pyrrole]-2,6'-dione (CID 129097102) is 6-chloro-5'-(5-chloro-2-methylphenyl)-5-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-2H-pyrrolo[3,4-c]pyrrole]-2,6'-dione.
What is the SMILES notation for 6-chloro-5'-(5-chloro-2-methylphenyl)-5-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-2H-pyrrolo[3,4-c]pyrrole]-2,6'-dione?
The canonical SMILES for 6-chloro-5'-(5-chloro-2-methylphenyl)-5-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-2H-pyrrolo[3,4-c]pyrrole]-2,6'-dione is COc1cc2[nH]c(=O)[nH]c2cc1-c1cc2c(cc1Cl)NC(=O)C21c2c(c[nH]c2C(C)C)C(=O)N1c1cc(Cl)ccc1C.
What is the InChIKey of 6-chloro-5'-(5-chloro-2-methylphenyl)-5-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-2H-pyrrolo[3,4-c]pyrrole]-2,6'-dione?
The InChIKey is HOLJPUPXCDMQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25Cl2N5O4/c1-13(2)27-26-18(12-34-27)28(39)38(24-7-15(32)6-5-14(24)3)31(26)19-8-16(20(33)10-21(19)35-29(31)40)17-9-22-23(11-25(17)42-4)37-30(41)36-22/h5-13,34H,1-4H3,(H,35,40)(H2,36,37,41).
What are the key properties of 6-chloro-5'-(5-chloro-2-methylphenyl)-5-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-2H-pyrrolo[3,4-c]pyrrole]-2,6'-dione?
6-chloro-5'-(5-chloro-2-methylphenyl)-5-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-2H-pyrrolo[3,4-c]pyrrole]-2,6'-dione has a molecular weight of 602.48 g/mol, XLogP of 6.45, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5'-(5-chloro-2-methylphenyl)-5-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-2H-pyrrolo[3,4-c]pyrrole]-2,6'-dione is sourced from PubChem (CID 129097102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).