3-(1H-benzimidazol-2-yl)-6-methoxy-N-(4-methylphenyl)chromen-2-imine

C24H19N3O2 — CID 5128973

IUPAC3-(1H-benzimidazol-2-yl)-6-methoxy-N-(4-methylphenyl)chromen-2-imine
SMILESCOc1ccc2o/c(=N\c3ccc(C)cc3)c(-c3nc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C24H19N3O2/c1-15-7-9-17(10-8-15)25-24-19(23-26-20-5-3-4-6-21(20)27-23)14-16-13-18(28-2)11-12-22(16)29-24/h3-14H,1-2H3,(H,26,27)/b25-24-
InChIKeyNMIDZQFRTAUOLO-IZHYLOQSSA-N
MW381.44 g/mol
LogP5.53
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-6-methoxy-N-(4-methylphenyl)chromen-2-imine

3-(1H-benzimidazol-2-yl)-6-methoxy-N-(4-methylphenyl)chromen-2-imine (PubChem CID 5128973) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-6-methoxy-N-(4-methylphenyl)chromen-2-imine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-6-methoxy-N-(4-methylphenyl)chromen-2-imine
PubChem CID5128973
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name3-(1H-benzimidazol-2-yl)-6-methoxy-N-(4-methylphenyl)chromen-2-imine
SMILESCOc1ccc2o/c(=N\c3ccc(C)cc3)c(-c3nc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C24H19N3O2/c1-15-7-9-17(10-8-15)25-24-19(23-26-20-5-3-4-6-21(20)27-23)14-16-13-18(28-2)11-12-22(16)29-24/h3-14H,1-2H3,(H,26,27)/b25-24-
InChIKeyNMIDZQFRTAUOLO-IZHYLOQSSA-N
XLogP5.53
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-ylidene]amino]-4-bromobenzamide
CID 5033645
4-[[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzonitrile
CID 4306404
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-(4-iodophenyl)iminochromen-7-amine
CID 102431222
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422
2-(1H-benzimidazol-2-yl)-4-methoxyphenol
CID 135463022
2-[2-(1H-benzimidazol-2-yl)-5-[4-(1H-benzimidazol-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)phenoxy]phenyl]-6-methyl-1H-benzimidazole
CID 59762586
2-(1H-benzimidazol-2-yl)-4-[(3-methoxyphenyl)diazenyl]phenol
CID 136742412
2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol
CID 136742410
3-(1H-benzimidazol-2-yl)-2-(3-bromophenyl)iminochromen-7-ol
CID 135518454
3-(1H-benzimidazol-2-yl)-7-methylchromen-2-imine;ethane
CID 90915166
3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole
CID 168554394

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-6-methoxy-N-(4-methylphenyl)chromen-2-imine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-6-methoxy-N-(4-methylphenyl)chromen-2-imine (CID 5128973) is 3-(1H-benzimidazol-2-yl)-6-methoxy-N-(4-methylphenyl)chromen-2-imine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-6-methoxy-N-(4-methylphenyl)chromen-2-imine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-6-methoxy-N-(4-methylphenyl)chromen-2-imine is COc1ccc2o/c(=N\c3ccc(C)cc3)c(-c3nc4ccccc4[nH]3)cc2c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-6-methoxy-N-(4-methylphenyl)chromen-2-imine?
The InChIKey is NMIDZQFRTAUOLO-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-15-7-9-17(10-8-15)25-24-19(23-26-20-5-3-4-6-21(20)27-23)14-16-13-18(28-2)11-12-22(16)29-24/h3-14H,1-2H3,(H,26,27)/b25-24-.
What are the key properties of 3-(1H-benzimidazol-2-yl)-6-methoxy-N-(4-methylphenyl)chromen-2-imine?
3-(1H-benzimidazol-2-yl)-6-methoxy-N-(4-methylphenyl)chromen-2-imine has a molecular weight of 381.44 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-6-methoxy-N-(4-methylphenyl)chromen-2-imine is sourced from PubChem (CID 5128973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).