N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-4-methylaniline

C14H18ClN3 — CID 113355959

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-4-methylaniline
SMILESCCc1cc(NCc2ncc(Cl)n2C)ccc1C
InChIInChI=1S/C14H18ClN3/c1-4-11-7-12(6-5-10(11)2)16-9-14-17-8-13(15)18(14)3/h5-8,16H,4,9H2,1-3H3
InChIKeyRBQGQUYJMGTUDK-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.56
Rot. Bonds4

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-4-methylaniline

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-4-methylaniline (PubChem CID 113355959) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-4-methylaniline.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-4-methylaniline
PubChem CID113355959
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-4-methylaniline
SMILESCCc1cc(NCc2ncc(Cl)n2C)ccc1C
InChIInChI=1S/C14H18ClN3/c1-4-11-7-12(6-5-10(11)2)16-9-14-17-8-13(15)18(14)3/h5-8,16H,4,9H2,1-3H3
InChIKeyRBQGQUYJMGTUDK-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-4-methylaniline?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-4-methylaniline (CID 113355959) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-4-methylaniline.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-4-methylaniline?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-4-methylaniline is CCc1cc(NCc2ncc(Cl)n2C)ccc1C.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-4-methylaniline?
The InChIKey is RBQGQUYJMGTUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-4-11-7-12(6-5-10(11)2)16-9-14-17-8-13(15)18(14)3/h5-8,16H,4,9H2,1-3H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-4-methylaniline?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-4-methylaniline has a molecular weight of 263.77 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-ethyl-4-methylaniline is sourced from PubChem (CID 113355959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).