N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]cyclohexa-2,4-dien-1-yl]-1-methyl-4,5-dihydroimidazol-2-amine

C21H28N6 — CID 70878856

IUPACN-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]cyclohexa-2,4-dien-1-yl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NC1C=CC(CCc2ccc(NC3=NCCN3)cc2)=CC1
InChIInChI=1S/C21H28N6/c1-27-15-14-24-21(27)26-19-10-6-17(7-11-19)3-2-16-4-8-18(9-5-16)25-20-22-12-13-23-20/h4-10,19H,2-3,11-15H2,1H3,(H,24,26)(H2,22,23,25)
InChIKeyXIQXJAHBXKUSJN-UHFFFAOYSA-N
MW364.50 g/mol
LogP2.14
Rot. Bonds5

About N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]cyclohexa-2,4-dien-1-yl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]cyclohexa-2,4-dien-1-yl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 70878856) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]cyclohexa-2,4-dien-1-yl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]cyclohexa-2,4-dien-1-yl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID70878856
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC NameN-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]cyclohexa-2,4-dien-1-yl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NC1C=CC(CCc2ccc(NC3=NCCN3)cc2)=CC1
InChIInChI=1S/C21H28N6/c1-27-15-14-24-21(27)26-19-10-6-17(7-11-19)3-2-16-4-8-18(9-5-16)25-20-22-12-13-23-20/h4-10,19H,2-3,11-15H2,1H3,(H,24,26)(H2,22,23,25)
InChIKeyXIQXJAHBXKUSJN-UHFFFAOYSA-N
XLogP2.14
TPSA64.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]cyclohexa-2,4-dien-1-yl]-1-methyl-4,5-dihydroimidazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]cyclohexa-2,4-dien-1-yl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]cyclohexa-2,4-dien-1-yl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 70878856) is N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]cyclohexa-2,4-dien-1-yl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]cyclohexa-2,4-dien-1-yl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]cyclohexa-2,4-dien-1-yl]-1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1NC1C=CC(CCc2ccc(NC3=NCCN3)cc2)=CC1.
What is the InChIKey of N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]cyclohexa-2,4-dien-1-yl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is XIQXJAHBXKUSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6/c1-27-15-14-24-21(27)26-19-10-6-17(7-11-19)3-2-16-4-8-18(9-5-16)25-20-22-12-13-23-20/h4-10,19H,2-3,11-15H2,1H3,(H,24,26)(H2,22,23,25).
What are the key properties of N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]cyclohexa-2,4-dien-1-yl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]cyclohexa-2,4-dien-1-yl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 364.50 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]cyclohexa-2,4-dien-1-yl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 70878856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).