1-(cyclopropylmethyl)-5-methyl-5-pyridin-3-yl-4H-imidazol-2-amine

C13H18N4 — CID 79521666

IUPAC1-(cyclopropylmethyl)-5-methyl-5-pyridin-3-yl-4H-imidazol-2-amine
SMILESCC1(c2cccnc2)CN=C(N)N1CC1CC1
InChIInChI=1S/C13H18N4/c1-13(11-3-2-6-15-7-11)9-16-12(14)17(13)8-10-4-5-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,14,16)
InChIKeyMODWGTRXGQUIMW-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.34
Rot. Bonds3

About 1-(cyclopropylmethyl)-5-methyl-5-pyridin-3-yl-4H-imidazol-2-amine

1-(cyclopropylmethyl)-5-methyl-5-pyridin-3-yl-4H-imidazol-2-amine (PubChem CID 79521666) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-methyl-5-pyridin-3-yl-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-methyl-5-pyridin-3-yl-4H-imidazol-2-amine
PubChem CID79521666
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-(cyclopropylmethyl)-5-methyl-5-pyridin-3-yl-4H-imidazol-2-amine
SMILESCC1(c2cccnc2)CN=C(N)N1CC1CC1
InChIInChI=1S/C13H18N4/c1-13(11-3-2-6-15-7-11)9-16-12(14)17(13)8-10-4-5-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,14,16)
InChIKeyMODWGTRXGQUIMW-UHFFFAOYSA-N
XLogP1.34
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-methyl-5-pyridin-3-yl-4H-imidazol-2-amine?
The IUPAC name of 1-(cyclopropylmethyl)-5-methyl-5-pyridin-3-yl-4H-imidazol-2-amine (CID 79521666) is 1-(cyclopropylmethyl)-5-methyl-5-pyridin-3-yl-4H-imidazol-2-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-methyl-5-pyridin-3-yl-4H-imidazol-2-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-5-methyl-5-pyridin-3-yl-4H-imidazol-2-amine is CC1(c2cccnc2)CN=C(N)N1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-methyl-5-pyridin-3-yl-4H-imidazol-2-amine?
The InChIKey is MODWGTRXGQUIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-13(11-3-2-6-15-7-11)9-16-12(14)17(13)8-10-4-5-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,14,16).
What are the key properties of 1-(cyclopropylmethyl)-5-methyl-5-pyridin-3-yl-4H-imidazol-2-amine?
1-(cyclopropylmethyl)-5-methyl-5-pyridin-3-yl-4H-imidazol-2-amine has a molecular weight of 230.31 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-methyl-5-pyridin-3-yl-4H-imidazol-2-amine is sourced from PubChem (CID 79521666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).