2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine

C23H26N4O — CID 141273914

IUPAC2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine
SMILESCOc1cc(Nc2cccc3[nH]c(C(C)(C)C)cc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H26N4O/c1-15-13-27(14-24-15)20-10-9-16(11-21(20)28-5)25-18-7-6-8-19-17(18)12-22(26-19)23(2,3)4/h6-14,25-26H,1-5H3
InChIKeyOXCNERAIQITYPT-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.71
Rot. Bonds4

About 2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine

2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine (PubChem CID 141273914) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine
PubChem CID141273914
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine
SMILESCOc1cc(Nc2cccc3[nH]c(C(C)(C)C)cc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H26N4O/c1-15-13-27(14-24-15)20-10-9-16(11-21(20)28-5)25-18-7-6-8-19-17(18)12-22(26-19)23(2,3)4/h6-14,25-26H,1-5H3
InChIKeyOXCNERAIQITYPT-UHFFFAOYSA-N
XLogP5.71
TPSA54.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine
CID 141273910
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylphenyl)imidazo[1,2-a]pyridin-8-amine
CID 67416890
1-ethyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3,3,3-trifluoropropyl)benzimidazol-4-amine
CID 66679933
3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one
CID 70271003
CID 86633631
CID 86633631
2-(cyclohexylmethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine
CID 58065695
6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 178075717
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(1-phenylethyl)-1,2,4-triazol-3-amine
CID 46214071
2-(5-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine
CID 67414837
2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67700517

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine?
The IUPAC name of 2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine (CID 141273914) is 2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine.
What is the SMILES notation for 2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine?
The canonical SMILES for 2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine is COc1cc(Nc2cccc3[nH]c(C(C)(C)C)cc23)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine?
The InChIKey is OXCNERAIQITYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-15-13-27(14-24-15)20-10-9-16(11-21(20)28-5)25-18-7-6-8-19-17(18)12-22(26-19)23(2,3)4/h6-14,25-26H,1-5H3.
What are the key properties of 2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine?
2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine has a molecular weight of 374.49 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine is sourced from PubChem (CID 141273914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).