1-(cyclopropylmethyl)-5-(2-methoxy-5-methylphenyl)-5-methyl-4H-imidazol-2-amine

C16H23N3O — CID 79521330

IUPAC1-(cyclopropylmethyl)-5-(2-methoxy-5-methylphenyl)-5-methyl-4H-imidazol-2-amine
SMILESCOc1ccc(C)cc1C1(C)CN=C(N)N1CC1CC1
InChIInChI=1S/C16H23N3O/c1-11-4-7-14(20-3)13(8-11)16(2)10-18-15(17)19(16)9-12-5-6-12/h4,7-8,12H,5-6,9-10H2,1-3H3,(H2,17,18)
InChIKeyKMVBAQCQVXFOIR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.26
Rot. Bonds4

About 1-(cyclopropylmethyl)-5-(2-methoxy-5-methylphenyl)-5-methyl-4H-imidazol-2-amine

1-(cyclopropylmethyl)-5-(2-methoxy-5-methylphenyl)-5-methyl-4H-imidazol-2-amine (PubChem CID 79521330) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(2-methoxy-5-methylphenyl)-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-(2-methoxy-5-methylphenyl)-5-methyl-4H-imidazol-2-amine
PubChem CID79521330
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(cyclopropylmethyl)-5-(2-methoxy-5-methylphenyl)-5-methyl-4H-imidazol-2-amine
SMILESCOc1ccc(C)cc1C1(C)CN=C(N)N1CC1CC1
InChIInChI=1S/C16H23N3O/c1-11-4-7-14(20-3)13(8-11)16(2)10-18-15(17)19(16)9-12-5-6-12/h4,7-8,12H,5-6,9-10H2,1-3H3,(H2,17,18)
InChIKeyKMVBAQCQVXFOIR-UHFFFAOYSA-N
XLogP2.26
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-(2-methoxy-5-methylphenyl)-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 1-(cyclopropylmethyl)-5-(2-methoxy-5-methylphenyl)-5-methyl-4H-imidazol-2-amine (CID 79521330) is 1-(cyclopropylmethyl)-5-(2-methoxy-5-methylphenyl)-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-(2-methoxy-5-methylphenyl)-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-5-(2-methoxy-5-methylphenyl)-5-methyl-4H-imidazol-2-amine is COc1ccc(C)cc1C1(C)CN=C(N)N1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-(2-methoxy-5-methylphenyl)-5-methyl-4H-imidazol-2-amine?
The InChIKey is KMVBAQCQVXFOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-4-7-14(20-3)13(8-11)16(2)10-18-15(17)19(16)9-12-5-6-12/h4,7-8,12H,5-6,9-10H2,1-3H3,(H2,17,18).
What are the key properties of 1-(cyclopropylmethyl)-5-(2-methoxy-5-methylphenyl)-5-methyl-4H-imidazol-2-amine?
1-(cyclopropylmethyl)-5-(2-methoxy-5-methylphenyl)-5-methyl-4H-imidazol-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-(2-methoxy-5-methylphenyl)-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79521330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).