N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide

C19H21N5O2 — CID 135558932

IUPACN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc3nc[nH]c3c2)c(O)c1
InChIInChI=1S/C19H21N5O2/c1-3-24(4-2)15-7-5-14(18(25)10-15)11-22-23-19(26)13-6-8-16-17(9-13)21-12-20-16/h5-12,25H,3-4H2,1-2H3,(H,20,21)(H,23,26)/b22-11+
InChIKeyXZOPIDIWGAMWED-SSDVNMTOSA-N
MW351.41 g/mol
LogP2.88
Rot. Bonds6

About N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide (PubChem CID 135558932) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
PubChem CID135558932
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc3nc[nH]c3c2)c(O)c1
InChIInChI=1S/C19H21N5O2/c1-3-24(4-2)15-7-5-14(18(25)10-15)11-22-23-19(26)13-6-8-16-17(9-13)21-12-20-16/h5-12,25H,3-4H2,1-2H3,(H,20,21)(H,23,26)/b22-11+
InChIKeyXZOPIDIWGAMWED-SSDVNMTOSA-N
XLogP2.88
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide (CID 135558932) is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide is CCN(CC)c1ccc(/C=N/NC(=O)c2ccc3nc[nH]c3c2)c(O)c1.
What is the InChIKey of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide?
The InChIKey is XZOPIDIWGAMWED-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-3-24(4-2)15-7-5-14(18(25)10-15)11-22-23-19(26)13-6-8-16-17(9-13)21-12-20-16/h5-12,25H,3-4H2,1-2H3,(H,20,21)(H,23,26)/b22-11+.
What are the key properties of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide?
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 135558932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).