N-[(4-ethylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)benzimidazol-5-amine

C21H21N5O — CID 66793996

IUPACN-[(4-ethylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)benzimidazol-5-amine
SMILESCCc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC)nn2)cc1
InChIInChI=1S/C21H21N5O/c1-3-15-4-6-16(7-5-15)13-22-17-8-9-19-18(12-17)23-14-26(19)20-10-11-21(27-2)25-24-20/h4-12,14,22H,3,13H2,1-2H3
InChIKeyRZTVVHRILBYTIY-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.00
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)benzimidazol-5-amine

N-[(4-ethylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)benzimidazol-5-amine (PubChem CID 66793996) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)benzimidazol-5-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)benzimidazol-5-amine
PubChem CID66793996
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-[(4-ethylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)benzimidazol-5-amine
SMILESCCc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC)nn2)cc1
InChIInChI=1S/C21H21N5O/c1-3-15-4-6-16(7-5-15)13-22-17-8-9-19-18(12-17)23-14-26(19)20-10-11-21(27-2)25-24-20/h4-12,14,22H,3,13H2,1-2H3
InChIKeyRZTVVHRILBYTIY-UHFFFAOYSA-N
XLogP4.00
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_bim(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)benzimidazol-5-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)benzimidazol-5-amine (CID 66793996) is N-[(4-ethylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)benzimidazol-5-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)benzimidazol-5-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)benzimidazol-5-amine is CCc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC)nn2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)benzimidazol-5-amine?
The InChIKey is RZTVVHRILBYTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-3-15-4-6-16(7-5-15)13-22-17-8-9-19-18(12-17)23-14-26(19)20-10-11-21(27-2)25-24-20/h4-12,14,22H,3,13H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)benzimidazol-5-amine?
N-[(4-ethylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)benzimidazol-5-amine has a molecular weight of 359.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1-(6-methoxypyridazin-3-yl)benzimidazol-5-amine is sourced from PubChem (CID 66793996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).