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

C25H21ClN4O — CID 141273910

IUPAC2-(2-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine
SMILESCOc1cc(Nc2cccc3[nH]c(-c4ccccc4Cl)cc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H21ClN4O/c1-16-14-30(15-27-16)24-11-10-17(12-25(24)31-2)28-21-8-5-9-22-19(21)13-23(29-22)18-6-3-4-7-20(18)26/h3-15,28-29H,1-2H3
InChIKeyQSUBOUDQQMUHMA-UHFFFAOYSA-N
MW428.92 g/mol
LogP6.73
Rot. Bonds5

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

2-(2-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine (PubChem CID 141273910) has the molecular formula C25H21ClN4O and a molecular weight of 428.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine
PubChem CID141273910
Molecular FormulaC25H21ClN4O
Molecular Weight428.92 g/mol
Exact Mass428.14
IUPAC Name2-(2-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine
SMILESCOc1cc(Nc2cccc3[nH]c(-c4ccccc4Cl)cc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H21ClN4O/c1-16-14-30(15-27-16)24-11-10-17(12-25(24)31-2)28-21-8-5-9-22-19(21)13-23(29-22)18-6-3-4-7-20(18)26/h3-15,28-29H,1-2H3
InChIKeyQSUBOUDQQMUHMA-UHFFFAOYSA-N
XLogP6.73
TPSA54.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.92
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine
CID 141273914
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
2-(5-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine
CID 67414837
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one
CID 70271003
1-benzyl-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one
CID 178075743
1-benzyl-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one
CID 178075746
4-(3-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624681
N-(2,3-dichlorophenyl)-5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methyl-1,2,4-triazol-3-amine
CID 67608853
1-[(4-chlorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2,4-triazol-3-amine
CID 46214068
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(1-phenylethyl)-1,2,4-triazol-3-amine
CID 46214071
3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine (CID 141273910) is 2-(2-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine is COc1cc(Nc2cccc3[nH]c(-c4ccccc4Cl)cc23)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine?
The InChIKey is QSUBOUDQQMUHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O/c1-16-14-30(15-27-16)24-11-10-17(12-25(24)31-2)28-21-8-5-9-22-19(21)13-23(29-22)18-6-3-4-7-20(18)26/h3-15,28-29H,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine?
2-(2-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine has a molecular weight of 428.92 g/mol, XLogP of 6.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine is sourced from PubChem (CID 141273910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).