N-(1H-benzimidazol-2-yl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

C19H14N4O3 — CID 54685672

IUPACN-(1H-benzimidazol-2-yl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1c(O)c2cccc3c2n(c1=O)CC3
InChIInChI=1S/C19H14N4O3/c24-16-11-5-3-4-10-8-9-23(15(10)11)18(26)14(16)17(25)22-19-20-12-6-1-2-7-13(12)21-19/h1-7,24H,8-9H2,(H2,20,21,22,25)
InChIKeyLGVDGZKYTVWTHZ-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.39
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

N-(1H-benzimidazol-2-yl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide (PubChem CID 54685672) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
PubChem CID54685672
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC NameN-(1H-benzimidazol-2-yl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1c(O)c2cccc3c2n(c1=O)CC3
InChIInChI=1S/C19H14N4O3/c24-16-11-5-3-4-10-8-9-23(15(10)11)18(26)14(16)17(25)22-19-20-12-6-1-2-7-13(12)21-19/h1-7,24H,8-9H2,(H2,20,21,22,25)
InChIKeyLGVDGZKYTVWTHZ-UHFFFAOYSA-N
XLogP2.39
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide (CID 54685672) is N-(1H-benzimidazol-2-yl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide is O=C(Nc1nc2ccccc2[nH]1)c1c(O)c2cccc3c2n(c1=O)CC3.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The InChIKey is LGVDGZKYTVWTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c24-16-11-5-3-4-10-8-9-23(15(10)11)18(26)14(16)17(25)22-19-20-12-6-1-2-7-13(12)21-19/h1-7,24H,8-9H2,(H2,20,21,22,25).
What are the key properties of N-(1H-benzimidazol-2-yl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
N-(1H-benzimidazol-2-yl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide is sourced from PubChem (CID 54685672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).