N-[(1,3-diethylbenzimidazol-2-ylidene)amino]-1,3-diethylbenzimidazol-2-imine

C22H28N6 — CID 138981972

IUPACN-[(1,3-diethylbenzimidazol-2-ylidene)amino]-1,3-diethylbenzimidazol-2-imine
SMILESCCn1c(=NN=c2n(CC)c3ccccc3n2CC)n(CC)c2ccccc21
InChIInChI=1S/C22H28N6/c1-5-25-17-13-9-10-14-18(17)26(6-2)21(25)23-24-22-27(7-3)19-15-11-12-16-20(19)28(22)8-4/h9-16H,5-8H2,1-4H3
InChIKeyBMTWIKVHHSTRPC-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.70
Rot. Bonds5

About N-[(1,3-diethylbenzimidazol-2-ylidene)amino]-1,3-diethylbenzimidazol-2-imine

N-[(1,3-diethylbenzimidazol-2-ylidene)amino]-1,3-diethylbenzimidazol-2-imine (PubChem CID 138981972) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is N-[(1,3-diethylbenzimidazol-2-ylidene)amino]-1,3-diethylbenzimidazol-2-imine.

Molecular Properties

Compound NameN-[(1,3-diethylbenzimidazol-2-ylidene)amino]-1,3-diethylbenzimidazol-2-imine
PubChem CID138981972
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC NameN-[(1,3-diethylbenzimidazol-2-ylidene)amino]-1,3-diethylbenzimidazol-2-imine
SMILESCCn1c(=NN=c2n(CC)c3ccccc3n2CC)n(CC)c2ccccc21
InChIInChI=1S/C22H28N6/c1-5-25-17-13-9-10-14-18(17)26(6-2)21(25)23-24-22-27(7-3)19-15-11-12-16-20(19)28(22)8-4/h9-16H,5-8H2,1-4H3
InChIKeyBMTWIKVHHSTRPC-UHFFFAOYSA-N
XLogP3.70
TPSA44.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(1,3-diethylbenzimidazol-2-ylidene)amino]-1,3-diethylbenzimidazol-2-imine 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

1-amino-3-ethylbenzimidazole-2-thione
CID 827917
N-[(1-ethyl-3-propan-2-ylbenzimidazol-2-ylidene)amino]methanesulfonamide
CID 67703012
1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide
CID 52997879
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
1-ethyl-3-(methoxymethyl)benzimidazol-2-one
CID 116621234
2-(3-ethyl-2-oxobenzimidazol-1-yl)acetaldehyde
CID 58710654
N-[1,3-bis(2-phenylethyl)benzimidazol-2-ylidene]nitrous amide
CID 10044674
4,27-diethyl-4,27-diazaheptacyclo[15.11.0.02,14.03,11.05,10.020,28.021,26]octacosa-1(17),2(14),3(11),5,7,9,12,15,18,20(28),21,23,25-tridecaene
CID 177442338
4-ethyl-2-methylimidazo[1,2-a]benzimidazole;hydrochloride
CID 2853813
1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one
CID 116621288
N-(1-ethyl-3-propylbenzimidazol-2-ylidene)-1-methylpyrazole-4-sulfonamide
CID 126840926
ethane;9-ethylcarbazole;9-methylcarbazole;propane
CID 158486364

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diethylbenzimidazol-2-ylidene)amino]-1,3-diethylbenzimidazol-2-imine?
The IUPAC name of N-[(1,3-diethylbenzimidazol-2-ylidene)amino]-1,3-diethylbenzimidazol-2-imine (CID 138981972) is N-[(1,3-diethylbenzimidazol-2-ylidene)amino]-1,3-diethylbenzimidazol-2-imine.
What is the SMILES notation for N-[(1,3-diethylbenzimidazol-2-ylidene)amino]-1,3-diethylbenzimidazol-2-imine?
The canonical SMILES for N-[(1,3-diethylbenzimidazol-2-ylidene)amino]-1,3-diethylbenzimidazol-2-imine is CCn1c(=NN=c2n(CC)c3ccccc3n2CC)n(CC)c2ccccc21.
What is the InChIKey of N-[(1,3-diethylbenzimidazol-2-ylidene)amino]-1,3-diethylbenzimidazol-2-imine?
The InChIKey is BMTWIKVHHSTRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-5-25-17-13-9-10-14-18(17)26(6-2)21(25)23-24-22-27(7-3)19-15-11-12-16-20(19)28(22)8-4/h9-16H,5-8H2,1-4H3.
What are the key properties of N-[(1,3-diethylbenzimidazol-2-ylidene)amino]-1,3-diethylbenzimidazol-2-imine?
N-[(1,3-diethylbenzimidazol-2-ylidene)amino]-1,3-diethylbenzimidazol-2-imine has a molecular weight of 376.51 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diethylbenzimidazol-2-ylidene)amino]-1,3-diethylbenzimidazol-2-imine is sourced from PubChem (CID 138981972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).