N-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine

C14H18ClN3O — CID 106557059

IUPACN-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NCc1ccccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-11(10-19-2)18-8-7-16-14(18)17-9-12-5-3-4-6-13(12)15/h3-8,11H,9-10H2,1-2H3,(H,16,17)
InChIKeyIKMDBNKCRVRWHA-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.36
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine (PubChem CID 106557059) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
PubChem CID106557059
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NCc1ccccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-11(10-19-2)18-8-7-16-14(18)17-9-12-5-3-4-6-13(12)15/h3-8,11H,9-10H2,1-2H3,(H,16,17)
InChIKeyIKMDBNKCRVRWHA-UHFFFAOYSA-N
XLogP3.36
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106570194
N-[(3-methoxyphenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106563491
N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106563648
1-(1-methoxypropan-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]imidazol-2-amine
CID 106571991
1-(1-methoxypropan-2-yl)-N-(2-pyridin-2-ylethyl)imidazol-2-amine
CID 106554399
N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62136767
N-[(5-bromothiophen-2-yl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106575529
N-(cyclopropylmethyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106555195
N-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556239
N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556138
1-(1-methoxypropan-2-yl)-N-(2-pyrrolidin-1-ylethyl)imidazol-2-amine
CID 106570244
N-(2-ethoxypropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106581219

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine (CID 106557059) is N-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine is COCC(C)n1ccnc1NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The InChIKey is IKMDBNKCRVRWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-11(10-19-2)18-8-7-16-14(18)17-9-12-5-3-4-6-13(12)15/h3-8,11H,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine?
N-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine has a molecular weight of 279.77 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106557059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).