[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]azanium perchlorate

C20H14ClN3O5 — CID 2834928

IUPAC[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]azanium perchlorate
SMILES[NH2+]=c1oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C20H13N3O.ClHO4/c21-19-15(20-22-16-7-3-4-8-17(16)23-20)11-14-13-6-2-1-5-12(13)9-10-18(14)24-19;2-1(3,4)5/h1-11,21H,(H,22,23);(H,2,3,4,5)
InChIKeyWUBAMOBWUZONLJ-UHFFFAOYSA-N
MW411.80 g/mol
LogP-1.97
Rot. Bonds1

About [2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]azanium perchlorate

[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]azanium perchlorate (PubChem CID 2834928) has the molecular formula C20H14ClN3O5 and a molecular weight of 411.80 g/mol. Its IUPAC name is [2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]azanium perchlorate.

Molecular Properties

Compound Name[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]azanium perchlorate
PubChem CID2834928
Molecular FormulaC20H14ClN3O5
Molecular Weight411.80 g/mol
Exact Mass411.06
IUPAC Name[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]azanium perchlorate
SMILES[NH2+]=c1oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C20H13N3O.ClHO4/c21-19-15(20-22-16-7-3-4-8-17(16)23-20)11-14-13-6-2-1-5-12(13)9-10-18(14)24-19;2-1(3,4)5/h1-11,21H,(H,22,23);(H,2,3,4,5)
InChIKeyWUBAMOBWUZONLJ-UHFFFAOYSA-N
XLogP-1.97
TPSA159.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.80
LogP ≤ 5-1.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide
CID 3945255
2-[3-chloro-2-(1-chloronaphthalen-2-yl)phenyl]-1H-benzimidazole
CID 134336885
2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole
CID 135692693
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250
CID 20700346
CID 20700346
2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide
CID 146120911
2-(1H-benzimidazol-3-ium-2-yl)benzo[f]chromen-3-one
CID 2054739
2-naphthalen-1-yl-3H-benzimidazol-5-ol
CID 81432399
3-(1H-benzimidazol-2-yl)-6-nitrochromen-2-one
CID 747782
N-[2-(1H-benzimidazol-2-yl)phenyl]naphthalene-1-sulfonamide
CID 25047873
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671

Frequently Asked Questions

What is the IUPAC name of [2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]azanium perchlorate?
The IUPAC name of [2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]azanium perchlorate (CID 2834928) is [2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]azanium perchlorate.
What is the SMILES notation for [2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]azanium perchlorate?
The canonical SMILES for [2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]azanium perchlorate is [NH2+]=c1oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]azanium perchlorate?
The InChIKey is WUBAMOBWUZONLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O.ClHO4/c21-19-15(20-22-16-7-3-4-8-17(16)23-20)11-14-13-6-2-1-5-12(13)9-10-18(14)24-19;2-1(3,4)5/h1-11,21H,(H,22,23);(H,2,3,4,5).
What are the key properties of [2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]azanium perchlorate?
[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]azanium perchlorate has a molecular weight of 411.80 g/mol, XLogP of -1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]azanium perchlorate is sourced from PubChem (CID 2834928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).