N-[(3-chlorophenyl)methyl]-1H-imidazol-2-amine;N-[(2,3-dichlorophenyl)methyl]-1H-imidazol-2-amine;N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine

C30H28Cl5N9 — CID 159687239

IUPACN-[(3-chlorophenyl)methyl]-1H-imidazol-2-amine;N-[(2,3-dichlorophenyl)methyl]-1H-imidazol-2-amine;N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine
SMILESClc1ccc(CNc2ncc[nH]2)cc1Cl.Clc1cccc(CNc2ncc[nH]2)c1.Clc1cccc(CNc2ncc[nH]2)c1Cl
InChIInChI=1S/2C10H9Cl2N3.C10H10ClN3/c11-8-2-1-7(5-9(8)12)6-15-10-13-3-4-14-10;11-8-3-1-2-7(9(8)12)6-15-10-13-4-5-14-10;11-9-3-1-2-8(6-9)7-14-10-12-4-5-13-10/h2*1-5H,6H2,(H2,13,14,15);1-6H,7H2,(H2,12,13,14)
InChIKeyMVYKZHHFOJNSCD-UHFFFAOYSA-N
MW691.88 g/mol
LogP9.33
Rot. Bonds9

About N-[(3-chlorophenyl)methyl]-1H-imidazol-2-amine;N-[(2,3-dichlorophenyl)methyl]-1H-imidazol-2-amine;N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine

N-[(3-chlorophenyl)methyl]-1H-imidazol-2-amine;N-[(2,3-dichlorophenyl)methyl]-1H-imidazol-2-amine;N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine (PubChem CID 159687239) has the molecular formula C30H28Cl5N9 and a molecular weight of 691.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1H-imidazol-2-amine;N-[(2,3-dichlorophenyl)methyl]-1H-imidazol-2-amine;N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1H-imidazol-2-amine;N-[(2,3-dichlorophenyl)methyl]-1H-imidazol-2-amine;N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine
PubChem CID159687239
Molecular FormulaC30H28Cl5N9
Molecular Weight691.88 g/mol
Exact Mass689.09
IUPAC NameN-[(3-chlorophenyl)methyl]-1H-imidazol-2-amine;N-[(2,3-dichlorophenyl)methyl]-1H-imidazol-2-amine;N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine
SMILESClc1ccc(CNc2ncc[nH]2)cc1Cl.Clc1cccc(CNc2ncc[nH]2)c1.Clc1cccc(CNc2ncc[nH]2)c1Cl
InChIInChI=1S/2C10H9Cl2N3.C10H10ClN3/c11-8-2-1-7(5-9(8)12)6-15-10-13-3-4-14-10;11-8-3-1-2-7(9(8)12)6-15-10-13-4-5-14-10;11-9-3-1-2-8(6-9)7-14-10-12-4-5-13-10/h2*1-5H,6H2,(H2,13,14,15);1-6H,7H2,(H2,12,13,14)
InChIKeyMVYKZHHFOJNSCD-UHFFFAOYSA-N
XLogP9.33
TPSA122.13 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500691.88
LogP ≤ 59.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-imidazol-1-yl-N-[2-(1H-imidazol-3-yl)ethyl]ethanamine
CID 71588709
N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine
CID 24816439
N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine
CID 24955276
N-[(2,3-dichlorophenyl)methyl]-1H-imidazol-2-amine
CID 24955277
N-[(1R)-1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine
CID 67183267
N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine;N-(naphthalen-2-ylmethyl)-1H-imidazol-2-amine
CID 67184267
N-[(3,4-dichlorophenyl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine
CID 67833801
2,2-bis(2,4-dichlorophenyl)-1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenylimidazolidine
CID 69350362
1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1H-imidazole
CID 69493869
1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenyl-2,2-bis(2,4,6-trichlorophenyl)imidazolidine
CID 87793099
N-[(3,4-dichlorophenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine
CID 91126239
N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[(3-fluorophenyl)methyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine;N-[(3-methylphenyl)methyl]-1H-imidazol-2-amine
CID 158079066

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1H-imidazol-2-amine;N-[(2,3-dichlorophenyl)methyl]-1H-imidazol-2-amine;N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1H-imidazol-2-amine;N-[(2,3-dichlorophenyl)methyl]-1H-imidazol-2-amine;N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine (CID 159687239) is N-[(3-chlorophenyl)methyl]-1H-imidazol-2-amine;N-[(2,3-dichlorophenyl)methyl]-1H-imidazol-2-amine;N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1H-imidazol-2-amine;N-[(2,3-dichlorophenyl)methyl]-1H-imidazol-2-amine;N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1H-imidazol-2-amine;N-[(2,3-dichlorophenyl)methyl]-1H-imidazol-2-amine;N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine is Clc1ccc(CNc2ncc[nH]2)cc1Cl.Clc1cccc(CNc2ncc[nH]2)c1.Clc1cccc(CNc2ncc[nH]2)c1Cl.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1H-imidazol-2-amine;N-[(2,3-dichlorophenyl)methyl]-1H-imidazol-2-amine;N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine?
The InChIKey is MVYKZHHFOJNSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9Cl2N3.C10H10ClN3/c11-8-2-1-7(5-9(8)12)6-15-10-13-3-4-14-10;11-8-3-1-2-7(9(8)12)6-15-10-13-4-5-14-10;11-9-3-1-2-8(6-9)7-14-10-12-4-5-13-10/h2*1-5H,6H2,(H2,13,14,15);1-6H,7H2,(H2,12,13,14).
What are the key properties of N-[(3-chlorophenyl)methyl]-1H-imidazol-2-amine;N-[(2,3-dichlorophenyl)methyl]-1H-imidazol-2-amine;N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine?
N-[(3-chlorophenyl)methyl]-1H-imidazol-2-amine;N-[(2,3-dichlorophenyl)methyl]-1H-imidazol-2-amine;N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine has a molecular weight of 691.88 g/mol, XLogP of 9.33, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1H-imidazol-2-amine;N-[(2,3-dichlorophenyl)methyl]-1H-imidazol-2-amine;N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine is sourced from PubChem (CID 159687239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).