N-[(Z)-1-[4-(difluoromethoxy)phenyl]propylideneamino]-1H-benzimidazol-2-amine

C17H16F2N4O — CID 6529655

IUPACN-[(Z)-1-[4-(difluoromethoxy)phenyl]propylideneamino]-1H-benzimidazol-2-amine
SMILESCC/C(=N/Nc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H16F2N4O/c1-2-13(11-7-9-12(10-8-11)24-16(18)19)22-23-17-20-14-5-3-4-6-15(14)21-17/h3-10,16H,2H2,1H3,(H2,20,21,23)/b22-13-
InChIKeyPCCCWEHLEPVNQB-XKZIYDEJSA-N
MW330.34 g/mol
LogP4.39
Rot. Bonds6

About N-[(Z)-1-[4-(difluoromethoxy)phenyl]propylideneamino]-1H-benzimidazol-2-amine

N-[(Z)-1-[4-(difluoromethoxy)phenyl]propylideneamino]-1H-benzimidazol-2-amine (PubChem CID 6529655) has the molecular formula C17H16F2N4O and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[(Z)-1-[4-(difluoromethoxy)phenyl]propylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-[4-(difluoromethoxy)phenyl]propylideneamino]-1H-benzimidazol-2-amine
PubChem CID6529655
Molecular FormulaC17H16F2N4O
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-[(Z)-1-[4-(difluoromethoxy)phenyl]propylideneamino]-1H-benzimidazol-2-amine
SMILESCC/C(=N/Nc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H16F2N4O/c1-2-13(11-7-9-12(10-8-11)24-16(18)19)22-23-17-20-14-5-3-4-6-15(14)21-17/h3-10,16H,2H2,1H3,(H2,20,21,23)/b22-13-
InChIKeyPCCCWEHLEPVNQB-XKZIYDEJSA-N
XLogP4.39
TPSA62.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.39
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-[(Z)-1-[4-(difluoromethoxy)phenyl]propylideneamino]-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-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine
CID 4051864
ethyl N-[1-[4-(difluoromethoxy)phenyl]propylideneamino]carbamate
CID 4573633
2-[1-[4-(difluoromethoxy)phenyl]ethylsulfanyl]-1H-benzimidazole
CID 60585452
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide
CID 27161540
N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline
CID 6520440
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine
CID 5396624
N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 3966393
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine
CID 133410892
N-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid
CID 73242970
1-[2-(1H-benzimidazol-2-yl)ethyl]-2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethylguanidine;hydroiodide
CID 109494884
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 7912538
1-[1-[4-(difluoromethoxy)phenyl]propylideneamino]-3-(2,3-dimethylphenyl)thiourea
CID 5015170

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(difluoromethoxy)phenyl]propylideneamino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(Z)-1-[4-(difluoromethoxy)phenyl]propylideneamino]-1H-benzimidazol-2-amine (CID 6529655) is N-[(Z)-1-[4-(difluoromethoxy)phenyl]propylideneamino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(Z)-1-[4-(difluoromethoxy)phenyl]propylideneamino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(Z)-1-[4-(difluoromethoxy)phenyl]propylideneamino]-1H-benzimidazol-2-amine is CC/C(=N/Nc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[(Z)-1-[4-(difluoromethoxy)phenyl]propylideneamino]-1H-benzimidazol-2-amine?
The InChIKey is PCCCWEHLEPVNQB-XKZIYDEJSA-N. The full InChI is InChI=1S/C17H16F2N4O/c1-2-13(11-7-9-12(10-8-11)24-16(18)19)22-23-17-20-14-5-3-4-6-15(14)21-17/h3-10,16H,2H2,1H3,(H2,20,21,23)/b22-13-.
What are the key properties of N-[(Z)-1-[4-(difluoromethoxy)phenyl]propylideneamino]-1H-benzimidazol-2-amine?
N-[(Z)-1-[4-(difluoromethoxy)phenyl]propylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 330.34 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(difluoromethoxy)phenyl]propylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 6529655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).