1-(imidazol-1-ylmethyl)-2-N-phenylcyclohexa-3,5-diene-1,2-diamine

C16H18N4 — CID 151523631

IUPAC1-(imidazol-1-ylmethyl)-2-N-phenylcyclohexa-3,5-diene-1,2-diamine
SMILESNC1(Cn2ccnc2)C=CC=CC1Nc1ccccc1
InChIInChI=1S/C16H18N4/c17-16(12-20-11-10-18-13-20)9-5-4-8-15(16)19-14-6-2-1-3-7-14/h1-11,13,15,19H,12,17H2
InChIKeyPUZGHTDNCUKVQY-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.19
Rot. Bonds4

About 1-(imidazol-1-ylmethyl)-2-N-phenylcyclohexa-3,5-diene-1,2-diamine

1-(imidazol-1-ylmethyl)-2-N-phenylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 151523631) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-(imidazol-1-ylmethyl)-2-N-phenylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-(imidazol-1-ylmethyl)-2-N-phenylcyclohexa-3,5-diene-1,2-diamine
PubChem CID151523631
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-(imidazol-1-ylmethyl)-2-N-phenylcyclohexa-3,5-diene-1,2-diamine
SMILESNC1(Cn2ccnc2)C=CC=CC1Nc1ccccc1
InChIInChI=1S/C16H18N4/c17-16(12-20-11-10-18-13-20)9-5-4-8-15(16)19-14-6-2-1-3-7-14/h1-11,13,15,19H,12,17H2
InChIKeyPUZGHTDNCUKVQY-UHFFFAOYSA-N
XLogP2.19
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(imidazol-1-ylmethyl)-2-N-(2-phenylethyl)cyclohexa-3,5-diene-1,2-diamine
CID 150149959
(1R)-6,6-dinitro-N-phenylcyclohexa-2,4-dien-1-amine
CID 124639754
N-(2-imidazol-1-ylethoxy)aniline
CID 91383596
1-(2,2,2-triphenylethyl)imidazole
CID 53325760
1-(3-phenylprop-2-enyl)imidazole;hydrochloride
CID 174925347
2-imidazol-1-yl-1-phenylethanamine
CID 5195236
3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline
CID 6474849
1-(2-imidazol-1-ylethyl)-3-phenylthiourea
CID 115570770
1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide
CID 20547508
2-anilino-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 60861260
1-(1-imidazol-1-ylpropan-2-yl)-N-phenylimidazol-2-amine
CID 106568029
1-(2-diphenylphosphorylethyl)imidazole
CID 19358917

Frequently Asked Questions

What is the IUPAC name of 1-(imidazol-1-ylmethyl)-2-N-phenylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-(imidazol-1-ylmethyl)-2-N-phenylcyclohexa-3,5-diene-1,2-diamine (CID 151523631) is 1-(imidazol-1-ylmethyl)-2-N-phenylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-(imidazol-1-ylmethyl)-2-N-phenylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-(imidazol-1-ylmethyl)-2-N-phenylcyclohexa-3,5-diene-1,2-diamine is NC1(Cn2ccnc2)C=CC=CC1Nc1ccccc1.
What is the InChIKey of 1-(imidazol-1-ylmethyl)-2-N-phenylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is PUZGHTDNCUKVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c17-16(12-20-11-10-18-13-20)9-5-4-8-15(16)19-14-6-2-1-3-7-14/h1-11,13,15,19H,12,17H2.
What are the key properties of 1-(imidazol-1-ylmethyl)-2-N-phenylcyclohexa-3,5-diene-1,2-diamine?
1-(imidazol-1-ylmethyl)-2-N-phenylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 266.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazol-1-ylmethyl)-2-N-phenylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 151523631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).