N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide

C17H13N5O — CID 135704659

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1ccc2nc[nH]c2c1
InChIInChI=1S/C17H13N5O/c23-17(11-5-6-15-16(7-11)20-10-19-15)22-21-9-12-8-18-14-4-2-1-3-13(12)14/h1-10,18H,(H,19,20)(H,22,23)/b21-9+
InChIKeyPOUIPWGRWIOBAQ-ZVBGSRNCSA-N
MW303.33 g/mol
LogP2.81
Rot. Bonds3

About N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide

N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide (PubChem CID 135704659) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide
PubChem CID135704659
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1ccc2nc[nH]c2c1
InChIInChI=1S/C17H13N5O/c23-17(11-5-6-15-16(7-11)20-10-19-15)22-21-9-12-8-18-14-4-2-1-3-13(12)14/h1-10,18H,(H,19,20)(H,22,23)/b21-9+
InChIKeyPOUIPWGRWIOBAQ-ZVBGSRNCSA-N
XLogP2.81
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide
CID 1477968
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 141213990
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
4-[(Z)-(3H-benzimidazole-5-carbonylhydrazinylidene)methyl]benzoic acid
CID 5423416
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136661365
N-[(Z)-1H-indol-3-ylmethylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
CID 137189888
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
CID 135458765
3-bromo-N-(1H-indol-3-ylmethylideneamino)-4-methoxybenzamide
CID 5153685

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide (CID 135704659) is N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide is O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide?
The InChIKey is POUIPWGRWIOBAQ-ZVBGSRNCSA-N. The full InChI is InChI=1S/C17H13N5O/c23-17(11-5-6-15-16(7-11)20-10-19-15)22-21-9-12-8-18-14-4-2-1-3-13(12)14/h1-10,18H,(H,19,20)(H,22,23)/b21-9+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide has a molecular weight of 303.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 135704659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).