1-[(2-chlorophenyl)methyl]imidazol-2-amine

C10H10ClN3 — CID 54593550

IUPAC1-[(2-chlorophenyl)methyl]imidazol-2-amine
SMILESNc1nccn1Cc1ccccc1Cl
InChIInChI=1S/C10H10ClN3/c11-9-4-2-1-3-8(9)7-14-6-5-13-10(14)12/h1-6H,7H2,(H2,12,13)
InChIKeySEEGGIGSOUKHRQ-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.17
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]imidazol-2-amine

1-[(2-chlorophenyl)methyl]imidazol-2-amine (PubChem CID 54593550) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]imidazol-2-amine
PubChem CID54593550
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name1-[(2-chlorophenyl)methyl]imidazol-2-amine
SMILESNc1nccn1Cc1ccccc1Cl
InChIInChI=1S/C10H10ClN3/c11-9-4-2-1-3-8(9)7-14-6-5-13-10(14)12/h1-6H,7H2,(H2,12,13)
InChIKeySEEGGIGSOUKHRQ-UHFFFAOYSA-N
XLogP2.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole
CID 94696998
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide
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CID 3054841
1-(1-benzofuran-3-ylmethyl)imidazol-2-amine
CID 80702895
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane
CID 144709386
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 42818521
3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide
CID 119789659
N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62136767
4-[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]aniline
CID 102855873
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-3-ethylbenzenesulfonamide
CID 100614881
3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one
CID 114561555
1-[(2-chlorophenyl)methyl]-2-(5-methoxy-2-phenylphenyl)imidazole
CID 90791888

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]imidazol-2-amine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]imidazol-2-amine (CID 54593550) is 1-[(2-chlorophenyl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]imidazol-2-amine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]imidazol-2-amine is Nc1nccn1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]imidazol-2-amine?
The InChIKey is SEEGGIGSOUKHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c11-9-4-2-1-3-8(9)7-14-6-5-13-10(14)12/h1-6H,7H2,(H2,12,13).
What are the key properties of 1-[(2-chlorophenyl)methyl]imidazol-2-amine?
1-[(2-chlorophenyl)methyl]imidazol-2-amine has a molecular weight of 207.66 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 54593550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).