N-[2-[(1,3-dimethylimidazolidin-2-ylidene)amino]-3,6-dimethylphenyl]-1,3-dimethylimidazolidin-2-imine

C18H28N6 — CID 101444395

IUPACN-[2-[(1,3-dimethylimidazolidin-2-ylidene)amino]-3,6-dimethylphenyl]-1,3-dimethylimidazolidin-2-imine
SMILESCc1ccc(C)c(N=C2N(C)CCN2C)c1N=C1N(C)CCN1C
InChIInChI=1S/C18H28N6/c1-13-7-8-14(2)16(20-18-23(5)11-12-24(18)6)15(13)19-17-21(3)9-10-22(17)4/h7-8H,9-12H2,1-6H3
InChIKeyCCTFESDFICAUCV-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.03
Rot. Bonds2

About N-[2-[(1,3-dimethylimidazolidin-2-ylidene)amino]-3,6-dimethylphenyl]-1,3-dimethylimidazolidin-2-imine

N-[2-[(1,3-dimethylimidazolidin-2-ylidene)amino]-3,6-dimethylphenyl]-1,3-dimethylimidazolidin-2-imine (PubChem CID 101444395) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-[(1,3-dimethylimidazolidin-2-ylidene)amino]-3,6-dimethylphenyl]-1,3-dimethylimidazolidin-2-imine.

Molecular Properties

Compound NameN-[2-[(1,3-dimethylimidazolidin-2-ylidene)amino]-3,6-dimethylphenyl]-1,3-dimethylimidazolidin-2-imine
PubChem CID101444395
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC NameN-[2-[(1,3-dimethylimidazolidin-2-ylidene)amino]-3,6-dimethylphenyl]-1,3-dimethylimidazolidin-2-imine
SMILESCc1ccc(C)c(N=C2N(C)CCN2C)c1N=C1N(C)CCN1C
InChIInChI=1S/C18H28N6/c1-13-7-8-14(2)16(20-18-23(5)11-12-24(18)6)15(13)19-17-21(3)9-10-22(17)4/h7-8H,9-12H2,1-6H3
InChIKeyCCTFESDFICAUCV-UHFFFAOYSA-N
XLogP2.03
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-dimethylimidazolidin-2-ylidene)amino]-3,6-dimethylphenyl]-1,3-dimethylimidazolidin-2-imine?
The IUPAC name of N-[2-[(1,3-dimethylimidazolidin-2-ylidene)amino]-3,6-dimethylphenyl]-1,3-dimethylimidazolidin-2-imine (CID 101444395) is N-[2-[(1,3-dimethylimidazolidin-2-ylidene)amino]-3,6-dimethylphenyl]-1,3-dimethylimidazolidin-2-imine.
What is the SMILES notation for N-[2-[(1,3-dimethylimidazolidin-2-ylidene)amino]-3,6-dimethylphenyl]-1,3-dimethylimidazolidin-2-imine?
The canonical SMILES for N-[2-[(1,3-dimethylimidazolidin-2-ylidene)amino]-3,6-dimethylphenyl]-1,3-dimethylimidazolidin-2-imine is Cc1ccc(C)c(N=C2N(C)CCN2C)c1N=C1N(C)CCN1C.
What is the InChIKey of N-[2-[(1,3-dimethylimidazolidin-2-ylidene)amino]-3,6-dimethylphenyl]-1,3-dimethylimidazolidin-2-imine?
The InChIKey is CCTFESDFICAUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-13-7-8-14(2)16(20-18-23(5)11-12-24(18)6)15(13)19-17-21(3)9-10-22(17)4/h7-8H,9-12H2,1-6H3.
What are the key properties of N-[2-[(1,3-dimethylimidazolidin-2-ylidene)amino]-3,6-dimethylphenyl]-1,3-dimethylimidazolidin-2-imine?
N-[2-[(1,3-dimethylimidazolidin-2-ylidene)amino]-3,6-dimethylphenyl]-1,3-dimethylimidazolidin-2-imine has a molecular weight of 328.46 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-dimethylimidazolidin-2-ylidene)amino]-3,6-dimethylphenyl]-1,3-dimethylimidazolidin-2-imine is sourced from PubChem (CID 101444395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).