N-[(Z)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine

C13H12N6 — CID 5470579

IUPACN-[(Z)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine
SMILESC/C(=N/Nc1nc2ccccc2[nH]1)c1ccncn1
InChIInChI=1S/C13H12N6/c1-9(10-6-7-14-8-15-10)18-19-13-16-11-4-2-3-5-12(11)17-13/h2-8H,1H3,(H2,16,17,19)/b18-9-
InChIKeyGSVZQYFWGJGZGV-NVMNQCDNSA-N
MW252.28 g/mol
LogP2.19
Rot. Bonds3

About N-[(Z)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine

N-[(Z)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine (PubChem CID 5470579) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is N-[(Z)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine
PubChem CID5470579
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC NameN-[(Z)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine
SMILESC/C(=N/Nc1nc2ccccc2[nH]1)c1ccncn1
InChIInChI=1S/C13H12N6/c1-9(10-6-7-14-8-15-10)18-19-13-16-11-4-2-3-5-12(11)17-13/h2-8H,1H3,(H2,16,17,19)/b18-9-
InChIKeyGSVZQYFWGJGZGV-NVMNQCDNSA-N
XLogP2.19
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(Z)-1-pyrimidin-4-ylethylideneamino]-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)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine
CID 135558240
N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 3966393
N-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine
CID 5351439
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine
CID 5396624
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 6085973
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 7912538
N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine
CID 131854072
N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine
CID 4051864
N-[3-[(E)-N-(1H-benzimidazol-2-ylamino)-C-methylcarbonimidoyl]-4-hydroxyphenyl]butanamide
CID 135730875
N'-(1H-benzimidazol-2-yl)acetohydrazide
CID 14088792
5-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 7825141
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(Z)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine (CID 5470579) is N-[(Z)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(Z)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(Z)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine is C/C(=N/Nc1nc2ccccc2[nH]1)c1ccncn1.
What is the InChIKey of N-[(Z)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine?
The InChIKey is GSVZQYFWGJGZGV-NVMNQCDNSA-N. The full InChI is InChI=1S/C13H12N6/c1-9(10-6-7-14-8-15-10)18-19-13-16-11-4-2-3-5-12(11)17-13/h2-8H,1H3,(H2,16,17,19)/b18-9-.
What are the key properties of N-[(Z)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine?
N-[(Z)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 252.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 5470579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).