5-(2-chloro-6-methoxyphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine

C14H18ClN3O — CID 104819175

IUPAC5-(2-chloro-6-methoxyphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCOc1cccc(Cl)c1C1CN=C(N)N1CC1CC1
InChIInChI=1S/C14H18ClN3O/c1-19-12-4-2-3-10(15)13(12)11-7-17-14(16)18(11)8-9-5-6-9/h2-4,9,11H,5-8H2,1H3,(H2,16,17)
InChIKeyVHQRGSGXOTYAOS-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.43
Rot. Bonds4

About 5-(2-chloro-6-methoxyphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine

5-(2-chloro-6-methoxyphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 104819175) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 5-(2-chloro-6-methoxyphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(2-chloro-6-methoxyphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID104819175
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name5-(2-chloro-6-methoxyphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCOc1cccc(Cl)c1C1CN=C(N)N1CC1CC1
InChIInChI=1S/C14H18ClN3O/c1-19-12-4-2-3-10(15)13(12)11-7-17-14(16)18(11)8-9-5-6-9/h2-4,9,11H,5-8H2,1H3,(H2,16,17)
InChIKeyVHQRGSGXOTYAOS-UHFFFAOYSA-N
XLogP2.43
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-methoxyphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(2-chloro-6-methoxyphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine (CID 104819175) is 5-(2-chloro-6-methoxyphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(2-chloro-6-methoxyphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(2-chloro-6-methoxyphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine is COc1cccc(Cl)c1C1CN=C(N)N1CC1CC1.
What is the InChIKey of 5-(2-chloro-6-methoxyphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is VHQRGSGXOTYAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-19-12-4-2-3-10(15)13(12)11-7-17-14(16)18(11)8-9-5-6-9/h2-4,9,11H,5-8H2,1H3,(H2,16,17).
What are the key properties of 5-(2-chloro-6-methoxyphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine?
5-(2-chloro-6-methoxyphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 279.77 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-methoxyphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 104819175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).