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

C11H12ClN3 — CID 43087854

IUPAC2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCn1ccnc1CNc1ccccc1Cl
InChIInChI=1S/C11H12ClN3/c1-15-7-6-13-11(15)8-14-10-5-3-2-4-9(10)12/h2-7,14H,8H2,1H3
InChIKeyZYRYHJOPGMEFRY-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.69
Rot. Bonds3

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

2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline (PubChem CID 43087854) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
PubChem CID43087854
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCn1ccnc1CNc1ccccc1Cl
InChIInChI=1S/C11H12ClN3/c1-15-7-6-13-11(15)8-14-10-5-3-2-4-9(10)12/h2-7,14H,8H2,1H3
InChIKeyZYRYHJOPGMEFRY-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

N-[(1-methylimidazol-2-yl)methyl]naphthalen-1-amine
CID 43087970
7-chloro-N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 55171385
2-chloro-N-[(1-methylimidazol-2-yl)methyl]-5-methylsulfonylaniline
CID 55064722
4-chloro-3-[(1-methylimidazol-2-yl)methylamino]benzoic acid
CID 82539404
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975
N-[(1-methylimidazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 62357263
N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 62357772
N-[(1-methylimidazol-2-yl)methyl]-2-prop-2-enylsulfanylaniline
CID 55024778
2-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
CID 63295525
2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62351719
2-methyl-6-[(1-methylimidazol-2-yl)methylamino]benzonitrile
CID 114002963
4-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62351704

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline?
The IUPAC name of 2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline (CID 43087854) is 2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline is Cn1ccnc1CNc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline?
The InChIKey is ZYRYHJOPGMEFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-15-7-6-13-11(15)8-14-10-5-3-2-4-9(10)12/h2-7,14H,8H2,1H3.
What are the key properties of 2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline?
2-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 2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 43087854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).