4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline

C11H12ClN3 — CID 43087975

IUPAC4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCn1ccnc1CNc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3/c1-15-7-6-13-11(15)8-14-10-4-2-9(12)3-5-10/h2-7,14H,8H2,1H3
InChIKeyAFPVSRGLJHYFAF-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.69
Rot. Bonds3

About 4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline

4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline (PubChem CID 43087975) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
PubChem CID43087975
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCn1ccnc1CNc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3/c1-15-7-6-13-11(15)8-14-10-4-2-9(12)3-5-10/h2-7,14H,8H2,1H3
InChIKeyAFPVSRGLJHYFAF-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62351704
4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087956
1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol
CID 143391179
1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
CID 110446812
2-fluoro-5-[(1-methylimidazol-2-yl)methylamino]benzonitrile
CID 55058112
2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
CID 60690893
N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline
CID 60685164
2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087854
N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine
CID 66350553
2-[(4-chlorophenyl)methyl]-1-methylimidazole
CID 143713939
2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43088131
4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
CID 63295569

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline?
The IUPAC name of 4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline (CID 43087975) is 4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline is Cn1ccnc1CNc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline?
The InChIKey is AFPVSRGLJHYFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-15-7-6-13-11(15)8-14-10-4-2-9(12)3-5-10/h2-7,14H,8H2,1H3.
What are the key properties of 4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline?
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline has a molecular weight of 221.69 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 43087975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).