N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1-ethyl-2-methylbenzimidazole-5-carboxamide

C21H22N4O — CID 3889458

IUPACN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1-ethyl-2-methylbenzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)NN=C3CCCc4ccccc43)ccc21
InChIInChI=1S/C21H22N4O/c1-3-25-14(2)22-19-13-16(11-12-20(19)25)21(26)24-23-18-10-6-8-15-7-4-5-9-17(15)18/h4-5,7,9,11-13H,3,6,8,10H2,1-2H3,(H,24,26)
InChIKeyZZYDJQBTWKSEPP-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.84
Rot. Bonds3

About N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1-ethyl-2-methylbenzimidazole-5-carboxamide

N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1-ethyl-2-methylbenzimidazole-5-carboxamide (PubChem CID 3889458) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1-ethyl-2-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1-ethyl-2-methylbenzimidazole-5-carboxamide
PubChem CID3889458
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1-ethyl-2-methylbenzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)NN=C3CCCc4ccccc43)ccc21
InChIInChI=1S/C21H22N4O/c1-3-25-14(2)22-19-13-16(11-12-20(19)25)21(26)24-23-18-10-6-8-15-7-4-5-9-17(15)18/h4-5,7,9,11-13H,3,6,8,10H2,1-2H3,(H,24,26)
InChIKeyZZYDJQBTWKSEPP-UHFFFAOYSA-N
XLogP3.84
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
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-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1-ethyl-2-methylbenzimidazole-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

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1-ethyl-2-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1-ethyl-2-methylbenzimidazole-5-carboxamide (CID 3889458) is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1-ethyl-2-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1-ethyl-2-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1-ethyl-2-methylbenzimidazole-5-carboxamide is CCn1c(C)nc2cc(C(=O)NN=C3CCCc4ccccc43)ccc21.
What is the InChIKey of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1-ethyl-2-methylbenzimidazole-5-carboxamide?
The InChIKey is ZZYDJQBTWKSEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-3-25-14(2)22-19-13-16(11-12-20(19)25)21(26)24-23-18-10-6-8-15-7-4-5-9-17(15)18/h4-5,7,9,11-13H,3,6,8,10H2,1-2H3,(H,24,26).
What are the key properties of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1-ethyl-2-methylbenzimidazole-5-carboxamide?
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1-ethyl-2-methylbenzimidazole-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1-ethyl-2-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 3889458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).