N-benzyl-2-(1H-indol-3-yl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine

C27H26N4 — CID 10272736

IUPACN-benzyl-2-(1H-indol-3-yl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine
SMILESCc1[nH]c(C(Cc2c[nH]c3ccccc23)NCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C27H26N4/c1-19-26(21-12-6-3-7-13-21)31-27(30-19)25(28-17-20-10-4-2-5-11-20)16-22-18-29-24-15-9-8-14-23(22)24/h2-15,18,25,28-29H,16-17H2,1H3,(H,30,31)
InChIKeyPHIGPUKLLCGMJQ-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.94
Rot. Bonds7

About N-benzyl-2-(1H-indol-3-yl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine

N-benzyl-2-(1H-indol-3-yl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine (PubChem CID 10272736) has the molecular formula C27H26N4 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-benzyl-2-(1H-indol-3-yl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(1H-indol-3-yl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine
PubChem CID10272736
Molecular FormulaC27H26N4
Molecular Weight406.53 g/mol
Exact Mass406.22
IUPAC NameN-benzyl-2-(1H-indol-3-yl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine
SMILESCc1[nH]c(C(Cc2c[nH]c3ccccc23)NCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C27H26N4/c1-19-26(21-12-6-3-7-13-21)31-27(30-19)25(28-17-20-10-4-2-5-11-20)16-22-18-29-24-15-9-8-14-23(22)24/h2-15,18,25,28-29H,16-17H2,1H3,(H,30,31)
InChIKeyPHIGPUKLLCGMJQ-UHFFFAOYSA-N
XLogP5.94
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(benzylamino)-3-(1H-indol-3-yl)propanoic acid
CID 11483261
tert-butyl N-[(1R)-1-(4,5-diphenyl-1H-imidazol-2-yl)-2-(1H-indol-3-yl)ethyl]carbamate
CID 10950909
2-(1H-indol-3-yl)-N-[1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-2-phenylethyl]acetamide
CID 144668185
4-[1-[(4-fluorophenyl)methylamino]-2-(1H-indol-3-yl)ethyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136761442
methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate
CID 53306565
ethyl 2-[(1R)-2-(1H-indol-3-yl)-1-(phenylmethoxycarbonylamino)ethyl]-5-propan-2-yl-1H-imidazole-4-carboxylate
CID 10504704
2-[(1R)-1-[[(2S)-2-(3,3-dimethylbutanoylamino)-4-methylpentanoyl]amino]-2-(1H-indol-3-yl)ethyl]-5-methyl-1H-imidazole-4-carboxylic acid
CID 67777892
(2R)-2-[(4-fluorophenyl)methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 51987410
(2S)-N-benzyl-2-(dimethylcarbamoylamino)-3-(1H-indol-3-yl)propanamide
CID 110286534
N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine
CID 3497526
[(1R)-2-(1H-indol-3-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethyl]carbamic acid
CID 68974832
N-[1-(1H-benzimidazol-2-yl)-2-(1H-indol-3-yl)ethyl]benzamide
CID 3582836

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1H-indol-3-yl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine?
The IUPAC name of N-benzyl-2-(1H-indol-3-yl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine (CID 10272736) is N-benzyl-2-(1H-indol-3-yl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine.
What is the SMILES notation for N-benzyl-2-(1H-indol-3-yl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine?
The canonical SMILES for N-benzyl-2-(1H-indol-3-yl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine is Cc1[nH]c(C(Cc2c[nH]c3ccccc23)NCc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-benzyl-2-(1H-indol-3-yl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine?
The InChIKey is PHIGPUKLLCGMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4/c1-19-26(21-12-6-3-7-13-21)31-27(30-19)25(28-17-20-10-4-2-5-11-20)16-22-18-29-24-15-9-8-14-23(22)24/h2-15,18,25,28-29H,16-17H2,1H3,(H,30,31).
What are the key properties of N-benzyl-2-(1H-indol-3-yl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine?
N-benzyl-2-(1H-indol-3-yl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine has a molecular weight of 406.53 g/mol, XLogP of 5.94, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1H-indol-3-yl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine is sourced from PubChem (CID 10272736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).