N-[[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide

C24H25ClN6O2 — CID 4846385

IUPACN-[[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)NN=Cc3c(C)nn(Cc4cccc(OC)c4)c3Cl)ccc21
InChIInChI=1S/C24H25ClN6O2/c1-5-30-16(3)27-21-12-18(9-10-22(21)30)24(32)28-26-13-20-15(2)29-31(23(20)25)14-17-7-6-8-19(11-17)33-4/h6-13H,5,14H2,1-4H3,(H,28,32)
InChIKeyYVQLVEXZPNHTSI-UHFFFAOYSA-N
MW464.96 g/mol
LogP4.34
Rot. Bonds7

About N-[[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide

N-[[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide (PubChem CID 4846385) has the molecular formula C24H25ClN6O2 and a molecular weight of 464.96 g/mol. Its IUPAC name is N-[[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
PubChem CID4846385
Molecular FormulaC24H25ClN6O2
Molecular Weight464.96 g/mol
Exact Mass464.17
IUPAC NameN-[[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)NN=Cc3c(C)nn(Cc4cccc(OC)c4)c3Cl)ccc21
InChIInChI=1S/C24H25ClN6O2/c1-5-30-16(3)27-21-12-18(9-10-22(21)30)24(32)28-26-13-20-15(2)29-31(23(20)25)14-17-7-6-8-19(11-17)33-4/h6-13H,5,14H2,1-4H3,(H,28,32)
InChIKeyYVQLVEXZPNHTSI-UHFFFAOYSA-N
XLogP4.34
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

N-[(Z)-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 6218365
N-[(E)-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 42995979
1-ethyl-N-[(4-methoxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 2323425
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 42991014
1-ethyl-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzimidazole-5-carboxamide
CID 4680774
N-[(E)-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 6900795
1-ethyl-N-[(2-hydroxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 2641917
3-chloro-N-[(Z)-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]benzamide
CID 9174909
N-[(Z)-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]-4-methylbenzamide
CID 9175162
1-ethyl-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 6902346
1-ethyl-2-methyl-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzimidazole-5-carboxamide
CID 4210674
4-[(Z)-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 6085667

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-[[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide (CID 4846385) is N-[[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide is CCn1c(C)nc2cc(C(=O)NN=Cc3c(C)nn(Cc4cccc(OC)c4)c3Cl)ccc21.
What is the InChIKey of N-[[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide?
The InChIKey is YVQLVEXZPNHTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O2/c1-5-30-16(3)27-21-12-18(9-10-22(21)30)24(32)28-26-13-20-15(2)29-31(23(20)25)14-17-7-6-8-19(11-17)33-4/h6-13H,5,14H2,1-4H3,(H,28,32).
What are the key properties of N-[[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide?
N-[[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide has a molecular weight of 464.96 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 4846385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).