N-benzyl-N-[3-[(4-methylimidazol-1-yl)methyl]phenyl]formamide;butane

C23H29N3O — CID 143246286

IUPACN-benzyl-N-[3-[(4-methylimidazol-1-yl)methyl]phenyl]formamide;butane
SMILESCCCC.Cc1cn(Cc2cccc(N(C=O)Cc3ccccc3)c2)cn1
InChIInChI=1S/C19H19N3O.C4H10/c1-16-11-21(14-20-16)12-18-8-5-9-19(10-18)22(15-23)13-17-6-3-2-4-7-17;1-3-4-2/h2-11,14-15H,12-13H2,1H3;3-4H2,1-2H3
InChIKeyYTYXJIPGKZJULB-UHFFFAOYSA-N
MW363.51 g/mol
LogP5.21
Rot. Bonds7

About N-benzyl-N-[3-[(4-methylimidazol-1-yl)methyl]phenyl]formamide;butane

N-benzyl-N-[3-[(4-methylimidazol-1-yl)methyl]phenyl]formamide;butane (PubChem CID 143246286) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is N-benzyl-N-[3-[(4-methylimidazol-1-yl)methyl]phenyl]formamide;butane.

Molecular Properties

Compound NameN-benzyl-N-[3-[(4-methylimidazol-1-yl)methyl]phenyl]formamide;butane
PubChem CID143246286
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC NameN-benzyl-N-[3-[(4-methylimidazol-1-yl)methyl]phenyl]formamide;butane
SMILESCCCC.Cc1cn(Cc2cccc(N(C=O)Cc3ccccc3)c2)cn1
InChIInChI=1S/C19H19N3O.C4H10/c1-16-11-21(14-20-16)12-18-8-5-9-19(10-18)22(15-23)13-17-6-3-2-4-7-17;1-3-4-2/h2-11,14-15H,12-13H2,1H3;3-4H2,1-2H3
InChIKeyYTYXJIPGKZJULB-UHFFFAOYSA-N
XLogP5.21
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.51
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-[(4-methylimidazol-1-yl)methyl]phenyl]formamide;butane?
The IUPAC name of N-benzyl-N-[3-[(4-methylimidazol-1-yl)methyl]phenyl]formamide;butane (CID 143246286) is N-benzyl-N-[3-[(4-methylimidazol-1-yl)methyl]phenyl]formamide;butane.
What is the SMILES notation for N-benzyl-N-[3-[(4-methylimidazol-1-yl)methyl]phenyl]formamide;butane?
The canonical SMILES for N-benzyl-N-[3-[(4-methylimidazol-1-yl)methyl]phenyl]formamide;butane is CCCC.Cc1cn(Cc2cccc(N(C=O)Cc3ccccc3)c2)cn1.
What is the InChIKey of N-benzyl-N-[3-[(4-methylimidazol-1-yl)methyl]phenyl]formamide;butane?
The InChIKey is YTYXJIPGKZJULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O.C4H10/c1-16-11-21(14-20-16)12-18-8-5-9-19(10-18)22(15-23)13-17-6-3-2-4-7-17;1-3-4-2/h2-11,14-15H,12-13H2,1H3;3-4H2,1-2H3.
What are the key properties of N-benzyl-N-[3-[(4-methylimidazol-1-yl)methyl]phenyl]formamide;butane?
N-benzyl-N-[3-[(4-methylimidazol-1-yl)methyl]phenyl]formamide;butane has a molecular weight of 363.51 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-[(4-methylimidazol-1-yl)methyl]phenyl]formamide;butane is sourced from PubChem (CID 143246286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).