N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine

C13H11N5 — CID 2852455

IUPACN-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine
SMILESC(=NNc1nc2ccccc2[nH]1)c1cccnc1
InChIInChI=1S/C13H11N5/c1-2-6-12-11(5-1)16-13(17-12)18-15-9-10-4-3-7-14-8-10/h1-9H,(H2,16,17,18)
InChIKeyUWLQJXXNMPYPEU-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.40
Rot. Bonds3

About N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine

N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine (PubChem CID 2852455) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine
PubChem CID2852455
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC NameN-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine
SMILESC(=NNc1nc2ccccc2[nH]1)c1cccnc1
InChIInChI=1S/C13H11N5/c1-2-6-12-11(5-1)16-13(17-12)18-15-9-10-4-3-7-14-8-10/h1-9H,(H2,16,17,18)
InChIKeyUWLQJXXNMPYPEU-UHFFFAOYSA-N
XLogP2.40
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine 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-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 14088787
N-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 4151139
N-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine
CID 6036074
2-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 764281
N-[(Z)-pyridin-3-ylmethylideneamino]aniline
CID 5375484
[3-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]phenyl] benzenesulfonate
CID 94844790
4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 3134920
N-[2-(1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylmethanimine
CID 917406
N-[(E)-pyridin-3-ylmethylideneamino]pyridazin-3-amine
CID 167776981
N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine
CID 4166648
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 6031272
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 6266969

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine?
The IUPAC name of N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine (CID 2852455) is N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine is C(=NNc1nc2ccccc2[nH]1)c1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine?
The InChIKey is UWLQJXXNMPYPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c1-2-6-12-11(5-1)16-13(17-12)18-15-9-10-4-3-7-14-8-10/h1-9H,(H2,16,17,18).
What are the key properties of N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine?
N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine has a molecular weight of 237.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine is sourced from PubChem (CID 2852455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).