(Z)-1-[4-[4-[2-[(2S)-hexan-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-N-[(3S)-3-methylhept-1-en-2-yl]ethene-1,2-diamine

C31H42N4 — CID 143630064

IUPAC(Z)-1-[4-[4-[2-[(2S)-hexan-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-N-[(3S)-3-methylhept-1-en-2-yl]ethene-1,2-diamine
SMILESC=C(N/C(=C\N)c1ccc(-c2ccc(-c3cnc([C@@H](C)CCCC)[nH]3)cc2)cc1)[C@@H](C)CCCC
InChIInChI=1S/C31H42N4/c1-6-8-10-22(3)24(5)34-29(20-32)27-16-12-25(13-17-27)26-14-18-28(19-15-26)30-21-33-31(35-30)23(4)11-9-7-2/h12-23,34H,5-11,32H2,1-4H3,(H,33,35)/b29-20-/t22-,23-/m0/s1
InChIKeyUZCVYVVPUOABFV-IWVMSHHOSA-N
MW470.71 g/mol
LogP8.22
Rot. Bonds13

About (Z)-1-[4-[4-[2-[(2S)-hexan-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-N-[(3S)-3-methylhept-1-en-2-yl]ethene-1,2-diamine

(Z)-1-[4-[4-[2-[(2S)-hexan-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-N-[(3S)-3-methylhept-1-en-2-yl]ethene-1,2-diamine (PubChem CID 143630064) has the molecular formula C31H42N4 and a molecular weight of 470.71 g/mol. Its IUPAC name is (Z)-1-[4-[4-[2-[(2S)-hexan-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-N-[(3S)-3-methylhept-1-en-2-yl]ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-[4-[4-[2-[(2S)-hexan-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-N-[(3S)-3-methylhept-1-en-2-yl]ethene-1,2-diamine
PubChem CID143630064
Molecular FormulaC31H42N4
Molecular Weight470.71 g/mol
Exact Mass470.34
IUPAC Name(Z)-1-[4-[4-[2-[(2S)-hexan-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-N-[(3S)-3-methylhept-1-en-2-yl]ethene-1,2-diamine
SMILESC=C(N/C(=C\N)c1ccc(-c2ccc(-c3cnc([C@@H](C)CCCC)[nH]3)cc2)cc1)[C@@H](C)CCCC
InChIInChI=1S/C31H42N4/c1-6-8-10-22(3)24(5)34-29(20-32)27-16-12-25(13-17-27)26-14-18-28(19-15-26)30-21-33-31(35-30)23(4)11-9-7-2/h12-23,34H,5-11,32H2,1-4H3,(H,33,35)/b29-20-/t22-,23-/m0/s1
InChIKeyUZCVYVVPUOABFV-IWVMSHHOSA-N
XLogP8.22
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.71
LogP ≤ 58.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (Z)-1-[4-[4-[2-[(2S)-hexan-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-N-[(3S)-3-methylhept-1-en-2-yl]ethene-1,2-diamine with MolForge

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Related Compounds

ethane;formaldehyde;methoxymethane;bis((3R)-3-(methylamino)-4-thiophen-3-ylbutanal);methyl formate;(Z)-N-[(3S)-3-methylhept-1-en-2-yl]-1-[4-[4-(2-pentyl-1H-imidazol-5-yl)phenyl]phenyl]ethene-1,2-diamine
CID 143630648
(Z)-1-[4-[4-[2-[(2S)-hexan-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-N-[[(1R)-2-(4-methylcyclohexyl)cyclopentyl]methyl]-2-(methylideneamino)ethenamine
CID 143630173
(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 67213867
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 80544597
3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butan-1-amine
CID 80544451
5-(4-methylphenyl)-2-octan-4-yl-1H-imidazole
CID 177226910
3-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 116877001
(1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine
CID 67214186
N-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane
CID 143848512
3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 80544302
1-[5-(4-phenylphenyl)-1H-imidazol-2-yl]propan-2-amine
CID 60842314
2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine
CID 65232619

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-[4-[2-[(2S)-hexan-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-N-[(3S)-3-methylhept-1-en-2-yl]ethene-1,2-diamine?
The IUPAC name of (Z)-1-[4-[4-[2-[(2S)-hexan-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-N-[(3S)-3-methylhept-1-en-2-yl]ethene-1,2-diamine (CID 143630064) is (Z)-1-[4-[4-[2-[(2S)-hexan-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-N-[(3S)-3-methylhept-1-en-2-yl]ethene-1,2-diamine.
What is the SMILES notation for (Z)-1-[4-[4-[2-[(2S)-hexan-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-N-[(3S)-3-methylhept-1-en-2-yl]ethene-1,2-diamine?
The canonical SMILES for (Z)-1-[4-[4-[2-[(2S)-hexan-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-N-[(3S)-3-methylhept-1-en-2-yl]ethene-1,2-diamine is C=C(N/C(=C\N)c1ccc(-c2ccc(-c3cnc([C@@H](C)CCCC)[nH]3)cc2)cc1)[C@@H](C)CCCC.
What is the InChIKey of (Z)-1-[4-[4-[2-[(2S)-hexan-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-N-[(3S)-3-methylhept-1-en-2-yl]ethene-1,2-diamine?
The InChIKey is UZCVYVVPUOABFV-IWVMSHHOSA-N. The full InChI is InChI=1S/C31H42N4/c1-6-8-10-22(3)24(5)34-29(20-32)27-16-12-25(13-17-27)26-14-18-28(19-15-26)30-21-33-31(35-30)23(4)11-9-7-2/h12-23,34H,5-11,32H2,1-4H3,(H,33,35)/b29-20-/t22-,23-/m0/s1.
What are the key properties of (Z)-1-[4-[4-[2-[(2S)-hexan-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-N-[(3S)-3-methylhept-1-en-2-yl]ethene-1,2-diamine?
(Z)-1-[4-[4-[2-[(2S)-hexan-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-N-[(3S)-3-methylhept-1-en-2-yl]ethene-1,2-diamine has a molecular weight of 470.71 g/mol, XLogP of 8.22, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-[4-[2-[(2S)-hexan-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-N-[(3S)-3-methylhept-1-en-2-yl]ethene-1,2-diamine is sourced from PubChem (CID 143630064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).