2-cyclopropyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine

C12H18N6 — CID 66131553

IUPAC2-cyclopropyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
SMILESCCCn1cncc1-c1nc(C2CC2)n(N)c1N
InChIInChI=1S/C12H18N6/c1-2-5-17-7-15-6-9(17)10-11(13)18(14)12(16-10)8-3-4-8/h6-8H,2-5,13-14H2,1H3
InChIKeyPBIWRVFAMUPQDD-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.33
Rot. Bonds4

About 2-cyclopropyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine

2-cyclopropyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine (PubChem CID 66131553) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
PubChem CID66131553
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name2-cyclopropyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
SMILESCCCn1cncc1-c1nc(C2CC2)n(N)c1N
InChIInChI=1S/C12H18N6/c1-2-5-17-7-15-6-9(17)10-11(13)18(14)12(16-10)8-3-4-8/h6-8H,2-5,13-14H2,1H3
InChIKeyPBIWRVFAMUPQDD-UHFFFAOYSA-N
XLogP1.33
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclohexyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
CID 66132148
2-cyclopentyl-3-ethyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
CID 66129956
2-cyclopropyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
CID 66131946
2-propyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
CID 66131753
3-cyclopropyl-2-propyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
CID 66129550
4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
CID 66131156
3-tert-butyl-2-cyclopropyl-5-(3-methylimidazol-4-yl)imidazol-4-amine
CID 66116831
2-methyl-3-(2-methylpropyl)-5-(3-propylimidazol-4-yl)imidazol-4-amine
CID 66130350
2-methyl-3-prop-2-enyl-5-(3-propylimidazol-4-yl)imidazol-4-amine
CID 66130948
8-bromo-2-(3-propylimidazol-4-yl)imidazo[1,2-a]pyridin-3-amine
CID 66131564
2-cyclopropyl-4-(4-methylphenyl)imidazole-1,5-diamine
CID 55080105
2-cyclopropyl-4-(3-propoxyphenyl)imidazole-1,5-diamine
CID 62498323

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine?
The IUPAC name of 2-cyclopropyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine (CID 66131553) is 2-cyclopropyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine.
What is the SMILES notation for 2-cyclopropyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine?
The canonical SMILES for 2-cyclopropyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine is CCCn1cncc1-c1nc(C2CC2)n(N)c1N.
What is the InChIKey of 2-cyclopropyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine?
The InChIKey is PBIWRVFAMUPQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-2-5-17-7-15-6-9(17)10-11(13)18(14)12(16-10)8-3-4-8/h6-8H,2-5,13-14H2,1H3.
What are the key properties of 2-cyclopropyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine?
2-cyclopropyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3-propylimidazol-4-yl)imidazole-1,5-diamine is sourced from PubChem (CID 66131553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).