3-(1H-benzimidazol-2-yl)-8-methoxychromen-2-imine

C17H13N3O2 — CID 767391

IUPAC3-(1H-benzimidazol-2-yl)-8-methoxychromen-2-imine
SMILES[H]/N=c1\oc2c(OC)cccc2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C17H13N3O2/c1-21-14-8-4-5-10-9-11(16(18)22-15(10)14)17-19-12-6-2-3-7-13(12)20-17/h2-9,18H,1H3,(H,19,20)/b18-16-
InChIKeyRLZNVPGJFLCOLR-VLGSPTGOSA-N
MW291.31 g/mol
LogP3.46
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-8-methoxychromen-2-imine

3-(1H-benzimidazol-2-yl)-8-methoxychromen-2-imine (PubChem CID 767391) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-8-methoxychromen-2-imine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-8-methoxychromen-2-imine
PubChem CID767391
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name3-(1H-benzimidazol-2-yl)-8-methoxychromen-2-imine
SMILES[H]/N=c1\oc2c(OC)cccc2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C17H13N3O2/c1-21-14-8-4-5-10-9-11(16(18)22-15(10)14)17-19-12-6-2-3-7-13(12)20-17/h2-9,18H,1H3,(H,19,20)/b18-16-
InChIKeyRLZNVPGJFLCOLR-VLGSPTGOSA-N
XLogP3.46
TPSA74.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
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2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole
CID 168555811
2-(3-methoxy-4-pyridinyl)-1H-benzimidazole
CID 105063747
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CID 19288933
2-(1H-benzimidazol-2-yl)-4-methoxyphenol
CID 135463022
4-(1H-benzimidazol-2-yl)-2-chloro-5-methoxyaniline
CID 43614498
2-(1H-benzimidazol-2-yl)-4-[(3-methoxyphenyl)diazenyl]phenol
CID 136742412
ethyl 5-(2-imino-8-methoxychromen-3-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-triene-11-carboxylate
CID 46899698
2-phenanthren-9-yl-1H-benzimidazole
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CID 168554553

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-8-methoxychromen-2-imine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-8-methoxychromen-2-imine (CID 767391) is 3-(1H-benzimidazol-2-yl)-8-methoxychromen-2-imine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-8-methoxychromen-2-imine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-8-methoxychromen-2-imine is [H]/N=c1\oc2c(OC)cccc2cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-8-methoxychromen-2-imine?
The InChIKey is RLZNVPGJFLCOLR-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-21-14-8-4-5-10-9-11(16(18)22-15(10)14)17-19-12-6-2-3-7-13(12)20-17/h2-9,18H,1H3,(H,19,20)/b18-16-.
What are the key properties of 3-(1H-benzimidazol-2-yl)-8-methoxychromen-2-imine?
3-(1H-benzimidazol-2-yl)-8-methoxychromen-2-imine has a molecular weight of 291.31 g/mol, XLogP of 3.46, 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)-8-methoxychromen-2-imine is sourced from PubChem (CID 767391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).