N-butyl-1-[(2-chlorophenyl)methyl]-4-methylimidazol-2-amine

C15H20ClN3 — CID 106557065

IUPACN-butyl-1-[(2-chlorophenyl)methyl]-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1Cc1ccccc1Cl
InChIInChI=1S/C15H20ClN3/c1-3-4-9-17-15-18-12(2)10-19(15)11-13-7-5-6-8-14(13)16/h5-8,10H,3-4,9,11H2,1-2H3,(H,17,18)
InChIKeyFPWOZAZLZBAOLJ-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.11
Rot. Bonds6

About N-butyl-1-[(2-chlorophenyl)methyl]-4-methylimidazol-2-amine

N-butyl-1-[(2-chlorophenyl)methyl]-4-methylimidazol-2-amine (PubChem CID 106557065) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-butyl-1-[(2-chlorophenyl)methyl]-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-[(2-chlorophenyl)methyl]-4-methylimidazol-2-amine
PubChem CID106557065
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-butyl-1-[(2-chlorophenyl)methyl]-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1Cc1ccccc1Cl
InChIInChI=1S/C15H20ClN3/c1-3-4-9-17-15-18-12(2)10-19(15)11-13-7-5-6-8-14(13)16/h5-8,10H,3-4,9,11H2,1-2H3,(H,17,18)
InChIKeyFPWOZAZLZBAOLJ-UHFFFAOYSA-N
XLogP4.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-butyl-1-[(2-chlorophenyl)methyl]-4-methylimidazol-2-amine?
The IUPAC name of N-butyl-1-[(2-chlorophenyl)methyl]-4-methylimidazol-2-amine (CID 106557065) is N-butyl-1-[(2-chlorophenyl)methyl]-4-methylimidazol-2-amine.
What is the SMILES notation for N-butyl-1-[(2-chlorophenyl)methyl]-4-methylimidazol-2-amine?
The canonical SMILES for N-butyl-1-[(2-chlorophenyl)methyl]-4-methylimidazol-2-amine is CCCCNc1nc(C)cn1Cc1ccccc1Cl.
What is the InChIKey of N-butyl-1-[(2-chlorophenyl)methyl]-4-methylimidazol-2-amine?
The InChIKey is FPWOZAZLZBAOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-3-4-9-17-15-18-12(2)10-19(15)11-13-7-5-6-8-14(13)16/h5-8,10H,3-4,9,11H2,1-2H3,(H,17,18).
What are the key properties of N-butyl-1-[(2-chlorophenyl)methyl]-4-methylimidazol-2-amine?
N-butyl-1-[(2-chlorophenyl)methyl]-4-methylimidazol-2-amine has a molecular weight of 277.80 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[(2-chlorophenyl)methyl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106557065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).