N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide

C19H14N4O2 — CID 141213990

IUPACN-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide
SMILESO=C(NN=Cc1ccc2ccccc2c1O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C19H14N4O2/c24-18-14(6-5-12-3-1-2-4-15(12)18)10-22-23-19(25)13-7-8-16-17(9-13)21-11-20-16/h1-11,24H,(H,20,21)(H,23,25)
InChIKeyKMPZZQDVIILHTG-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.19
Rot. Bonds3

About N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide

N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide (PubChem CID 141213990) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide
PubChem CID141213990
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC NameN-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide
SMILESO=C(NN=Cc1ccc2ccccc2c1O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C19H14N4O2/c24-18-14(6-5-12-3-1-2-4-15(12)18)10-22-23-19(25)13-7-8-16-17(9-13)21-11-20-16/h1-11,24H,(H,20,21)(H,23,25)
InChIKeyKMPZZQDVIILHTG-UHFFFAOYSA-N
XLogP3.19
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide
CID 135704659
4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4293070
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide
CID 4252787
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136661365
3,4,5-trihydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4626466
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136661620
4-[(Z)-(3H-benzimidazole-5-carbonylhydrazinylidene)methyl]benzoic acid
CID 5423416
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 135781530
N-[(5-methylfuran-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 947650
N-[(2,5-dimethoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 939992
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 5424776
2-N,5-N-bis[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
CID 135837519

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide (CID 141213990) is N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide is O=C(NN=Cc1ccc2ccccc2c1O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide?
The InChIKey is KMPZZQDVIILHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c24-18-14(6-5-12-3-1-2-4-15(12)18)10-22-23-19(25)13-7-8-16-17(9-13)21-11-20-16/h1-11,24H,(H,20,21)(H,23,25).
What are the key properties of N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide?
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 141213990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).