1-butyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine

C20H26N4 — CID 2960719

IUPAC1-butyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine
SMILESCCCCn1c(NCc2ccc(N(C)C)cc2)nc2ccccc21
InChIInChI=1S/C20H26N4/c1-4-5-14-24-19-9-7-6-8-18(19)22-20(24)21-15-16-10-12-17(13-11-16)23(2)3/h6-13H,4-5,14-15H2,1-3H3,(H,21,22)
InChIKeyWMUHAWPSGIZNDB-UHFFFAOYSA-N
MW322.46 g/mol
LogP4.51
Rot. Bonds7

About 1-butyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine

1-butyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine (PubChem CID 2960719) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-butyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine
PubChem CID2960719
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name1-butyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine
SMILESCCCCn1c(NCc2ccc(N(C)C)cc2)nc2ccccc21
InChIInChI=1S/C20H26N4/c1-4-5-14-24-19-9-7-6-8-18(19)22-20(24)21-15-16-10-12-17(13-11-16)23(2)3/h6-13H,4-5,14-15H2,1-3H3,(H,21,22)
InChIKeyWMUHAWPSGIZNDB-UHFFFAOYSA-N
XLogP4.51
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine?
The IUPAC name of 1-butyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine (CID 2960719) is 1-butyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine?
The canonical SMILES for 1-butyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine is CCCCn1c(NCc2ccc(N(C)C)cc2)nc2ccccc21.
What is the InChIKey of 1-butyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine?
The InChIKey is WMUHAWPSGIZNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-4-5-14-24-19-9-7-6-8-18(19)22-20(24)21-15-16-10-12-17(13-11-16)23(2)3/h6-13H,4-5,14-15H2,1-3H3,(H,21,22).
What are the key properties of 1-butyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine?
1-butyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine has a molecular weight of 322.46 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine is sourced from PubChem (CID 2960719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).