6-[1-(3,4-dichlorophenyl)-3-methylidene-1H-isoindol-2-yl]-1H-benzimidazole

C22H15Cl2N3 — CID 118198676

IUPAC6-[1-(3,4-dichlorophenyl)-3-methylidene-1H-isoindol-2-yl]-1H-benzimidazole
SMILESC=C1c2ccccc2C(c2ccc(Cl)c(Cl)c2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C22H15Cl2N3/c1-13-16-4-2-3-5-17(16)22(14-6-8-18(23)19(24)10-14)27(13)15-7-9-20-21(11-15)26-12-25-20/h2-12,22H,1H2,(H,25,26)
InChIKeyXNDYJQIPMJWEOL-UHFFFAOYSA-N
MW392.29 g/mol
LogP6.45
Rot. Bonds2

About 6-[1-(3,4-dichlorophenyl)-3-methylidene-1H-isoindol-2-yl]-1H-benzimidazole

6-[1-(3,4-dichlorophenyl)-3-methylidene-1H-isoindol-2-yl]-1H-benzimidazole (PubChem CID 118198676) has the molecular formula C22H15Cl2N3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 6-[1-(3,4-dichlorophenyl)-3-methylidene-1H-isoindol-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[1-(3,4-dichlorophenyl)-3-methylidene-1H-isoindol-2-yl]-1H-benzimidazole
PubChem CID118198676
Molecular FormulaC22H15Cl2N3
Molecular Weight392.29 g/mol
Exact Mass391.06
IUPAC Name6-[1-(3,4-dichlorophenyl)-3-methylidene-1H-isoindol-2-yl]-1H-benzimidazole
SMILESC=C1c2ccccc2C(c2ccc(Cl)c(Cl)c2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C22H15Cl2N3/c1-13-16-4-2-3-5-17(16)22(14-6-8-18(23)19(24)10-14)27(13)15-7-9-20-21(11-15)26-12-25-20/h2-12,22H,1H2,(H,25,26)
InChIKeyXNDYJQIPMJWEOL-UHFFFAOYSA-N
XLogP6.45
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.29
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Liarozole hydrochloride
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1-(3,4-Dichlorobenzyl)-7-Phenyl-1h-Benzimidazol-2-Amine
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(3S)-1-[3-(3-chloro-5-fluorophenyl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine
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(4-Chloro-benzyl)-(1-methyl-1H-benzoimidazol-5-yl)-amine
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N-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine
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(1H-Benzoimidazol-2-yl)-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)amine
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(1H-Benzoimidazol-2-yl)-(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)amine
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3-[1-(3,4-Dichlorophenyl)ethyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole
CID 73330482
2-N-(3H-benzimidazol-5-yl)-5-bromo-4-N-[(2,3-dichlorophenyl)methyl]pyrimidine-2,4-diamine
CID 44401272
5,6-dichloro-2-[(2S)-1-[6-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole
CID 57390760

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3,4-dichlorophenyl)-3-methylidene-1H-isoindol-2-yl]-1H-benzimidazole?
The IUPAC name of 6-[1-(3,4-dichlorophenyl)-3-methylidene-1H-isoindol-2-yl]-1H-benzimidazole (CID 118198676) is 6-[1-(3,4-dichlorophenyl)-3-methylidene-1H-isoindol-2-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[1-(3,4-dichlorophenyl)-3-methylidene-1H-isoindol-2-yl]-1H-benzimidazole?
The canonical SMILES for 6-[1-(3,4-dichlorophenyl)-3-methylidene-1H-isoindol-2-yl]-1H-benzimidazole is C=C1c2ccccc2C(c2ccc(Cl)c(Cl)c2)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of 6-[1-(3,4-dichlorophenyl)-3-methylidene-1H-isoindol-2-yl]-1H-benzimidazole?
The InChIKey is XNDYJQIPMJWEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3/c1-13-16-4-2-3-5-17(16)22(14-6-8-18(23)19(24)10-14)27(13)15-7-9-20-21(11-15)26-12-25-20/h2-12,22H,1H2,(H,25,26).
What are the key properties of 6-[1-(3,4-dichlorophenyl)-3-methylidene-1H-isoindol-2-yl]-1H-benzimidazole?
6-[1-(3,4-dichlorophenyl)-3-methylidene-1H-isoindol-2-yl]-1H-benzimidazole has a molecular weight of 392.29 g/mol, XLogP of 6.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3,4-dichlorophenyl)-3-methylidene-1H-isoindol-2-yl]-1H-benzimidazole is sourced from PubChem (CID 118198676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).