N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide

C19H19ClN4O — CID 46803691

IUPACN-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)N/N=C(\C)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C19H19ClN4O/c1-4-24-13(3)21-17-11-15(7-10-18(17)24)19(25)23-22-12(2)14-5-8-16(20)9-6-14/h5-11H,4H2,1-3H3,(H,23,25)/b22-12+
InChIKeyFVHSTRBXZDRPEK-WSDLNYQXSA-N
MW354.84 g/mol
LogP4.17
Rot. Bonds4

About N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide

N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide (PubChem CID 46803691) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
PubChem CID46803691
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC NameN-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)N/N=C(\C)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C19H19ClN4O/c1-4-24-13(3)21-17-11-15(7-10-18(17)24)19(25)23-22-12(2)14-5-8-16(20)9-6-14/h5-11H,4H2,1-3H3,(H,23,25)/b22-12+
InChIKeyFVHSTRBXZDRPEK-WSDLNYQXSA-N
XLogP4.17
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.17
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide (CID 46803691) is N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide is CCn1c(C)nc2cc(C(=O)N/N=C(\C)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide?
The InChIKey is FVHSTRBXZDRPEK-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-4-24-13(3)21-17-11-15(7-10-18(17)24)19(25)23-22-12(2)14-5-8-16(20)9-6-14/h5-11H,4H2,1-3H3,(H,23,25)/b22-12+.
What are the key properties of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide?
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 46803691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).