N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]propan-1-amine

C19H23N3 — CID 91133525

IUPACN-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(-c2ccc3nc(C)[nH]c3c2)ccc1C
InChIInChI=1S/C19H23N3/c1-4-9-20-12-17-10-15(6-5-13(17)2)16-7-8-18-19(11-16)22-14(3)21-18/h5-8,10-11,20H,4,9,12H2,1-3H3,(H,21,22)
InChIKeyZOYXOIYEMUECII-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.35
Rot. Bonds5

About N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]propan-1-amine

N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]propan-1-amine (PubChem CID 91133525) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]propan-1-amine
PubChem CID91133525
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC NameN-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(-c2ccc3nc(C)[nH]c3c2)ccc1C
InChIInChI=1S/C19H23N3/c1-4-9-20-12-17-10-15(6-5-13(17)2)16-7-8-18-19(11-16)22-14(3)21-18/h5-8,10-11,20H,4,9,12H2,1-3H3,(H,21,22)
InChIKeyZOYXOIYEMUECII-UHFFFAOYSA-N
XLogP4.35
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]propan-1-amine (CID 91133525) is N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]propan-1-amine is CCCNCc1cc(-c2ccc3nc(C)[nH]c3c2)ccc1C.
What is the InChIKey of N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]propan-1-amine?
The InChIKey is ZOYXOIYEMUECII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-4-9-20-12-17-10-15(6-5-13(17)2)16-7-8-18-19(11-16)22-14(3)21-18/h5-8,10-11,20H,4,9,12H2,1-3H3,(H,21,22).
What are the key properties of N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]propan-1-amine?
N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]propan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 91133525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).