3-(1H-benzimidazol-2-yl)-2-(3-bromophenyl)iminochromen-7-ol

C22H14BrN3O2 — CID 135518454

IUPAC3-(1H-benzimidazol-2-yl)-2-(3-bromophenyl)iminochromen-7-ol
SMILESOc1ccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3cccc(Br)c3)oc2c1
InChIInChI=1S/C22H14BrN3O2/c23-14-4-3-5-15(11-14)24-22-17(10-13-8-9-16(27)12-20(13)28-22)21-25-18-6-1-2-7-19(18)26-21/h1-12,27H,(H,25,26)/b24-22-
InChIKeyRZIBSQWZAVDMRY-GYHWCHFESA-N
MW432.28 g/mol
LogP5.68
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-2-(3-bromophenyl)iminochromen-7-ol

3-(1H-benzimidazol-2-yl)-2-(3-bromophenyl)iminochromen-7-ol (PubChem CID 135518454) has the molecular formula C22H14BrN3O2 and a molecular weight of 432.28 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-2-(3-bromophenyl)iminochromen-7-ol.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-2-(3-bromophenyl)iminochromen-7-ol
PubChem CID135518454
Molecular FormulaC22H14BrN3O2
Molecular Weight432.28 g/mol
Exact Mass431.03
IUPAC Name3-(1H-benzimidazol-2-yl)-2-(3-bromophenyl)iminochromen-7-ol
SMILESOc1ccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3cccc(Br)c3)oc2c1
InChIInChI=1S/C22H14BrN3O2/c23-14-4-3-5-15(11-14)24-22-17(10-13-8-9-16(27)12-20(13)28-22)21-25-18-6-1-2-7-19(18)26-21/h1-12,27H,(H,25,26)/b24-22-
InChIKeyRZIBSQWZAVDMRY-GYHWCHFESA-N
XLogP5.68
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.28
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzonitrile
CID 4306404
N-[[3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-ylidene]amino]-2-methoxybenzamide
CID 135466780
3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-(4-iodophenyl)iminochromen-7-amine
CID 102431222
3-(1H-benzimidazol-2-yl)-6-methoxy-N-(4-methylphenyl)chromen-2-imine
CID 5128973
2-[[4-[2-[4-[[3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-ylidene]amino]phenyl]ethynyl]phenyl]iminomethyl]-5-(diethylamino)phenol
CID 136897744
N-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]pyridine-4-carboxamide
CID 4587142
2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol
CID 81432484
2-(3-bromophenyl)-1H-benzimidazole;ethane
CID 143816010
2-(2-bromophenyl)-3H-benzimidazol-5-ol
CID 81431199
N-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide
CID 98117948
N-[[3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-ylidene]amino]-4-bromobenzamide
CID 5033645
4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol
CID 136781810

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-2-(3-bromophenyl)iminochromen-7-ol?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-2-(3-bromophenyl)iminochromen-7-ol (CID 135518454) is 3-(1H-benzimidazol-2-yl)-2-(3-bromophenyl)iminochromen-7-ol.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-2-(3-bromophenyl)iminochromen-7-ol?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-2-(3-bromophenyl)iminochromen-7-ol is Oc1ccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3cccc(Br)c3)oc2c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-2-(3-bromophenyl)iminochromen-7-ol?
The InChIKey is RZIBSQWZAVDMRY-GYHWCHFESA-N. The full InChI is InChI=1S/C22H14BrN3O2/c23-14-4-3-5-15(11-14)24-22-17(10-13-8-9-16(27)12-20(13)28-22)21-25-18-6-1-2-7-19(18)26-21/h1-12,27H,(H,25,26)/b24-22-.
What are the key properties of 3-(1H-benzimidazol-2-yl)-2-(3-bromophenyl)iminochromen-7-ol?
3-(1H-benzimidazol-2-yl)-2-(3-bromophenyl)iminochromen-7-ol has a molecular weight of 432.28 g/mol, XLogP of 5.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-2-(3-bromophenyl)iminochromen-7-ol is sourced from PubChem (CID 135518454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).