6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine

C20H24N4O — CID 110511992

IUPAC6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
SMILESCCCCCOc1ccc(/C=N\Nc2nc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C20H24N4O/c1-3-4-5-12-25-17-9-7-16(8-10-17)14-21-24-20-22-18-11-6-15(2)13-19(18)23-20/h6-11,13-14H,3-5,12H2,1-2H3,(H2,22,23,24)/b21-14-
InChIKeyFWIKTOUDSBASFS-STZFKDTASA-N
MW336.44 g/mol
LogP4.89
Rot. Bonds8

About 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine

6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine (PubChem CID 110511992) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
PubChem CID110511992
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
SMILESCCCCCOc1ccc(/C=N\Nc2nc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C20H24N4O/c1-3-4-5-12-25-17-9-7-16(8-10-17)14-21-24-20-22-18-11-6-15(2)13-19(18)23-20/h6-11,13-14H,3-5,12H2,1-2H3,(H2,22,23,24)/b21-14-
InChIKeyFWIKTOUDSBASFS-STZFKDTASA-N
XLogP4.89
TPSA62.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine?
The IUPAC name of 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine (CID 110511992) is 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine is CCCCCOc1ccc(/C=N\Nc2nc3ccc(C)cc3[nH]2)cc1.
What is the InChIKey of 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine?
The InChIKey is FWIKTOUDSBASFS-STZFKDTASA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-4-5-12-25-17-9-7-16(8-10-17)14-21-24-20-22-18-11-6-15(2)13-19(18)23-20/h6-11,13-14H,3-5,12H2,1-2H3,(H2,22,23,24)/b21-14-.
What are the key properties of 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine?
6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 336.44 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 110511992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).