N-[(7-methoxy-1H-indol-3-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine

C25H28N4O — CID 122186636

IUPACN-[(7-methoxy-1H-indol-3-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
SMILESCOc1cccc2c(CNC3(c4ncc(-c5ccc(C)cc5)[nH]4)CCCC3)c[nH]c12
InChIInChI=1S/C25H28N4O/c1-17-8-10-18(11-9-17)21-16-27-24(29-21)25(12-3-4-13-25)28-15-19-14-26-23-20(19)6-5-7-22(23)30-2/h5-11,14,16,26,28H,3-4,12-13,15H2,1-2H3,(H,27,29)
InChIKeyPWCGBMBEZDCAFY-UHFFFAOYSA-N
MW400.53 g/mol
LogP5.43
Rot. Bonds6

About N-[(7-methoxy-1H-indol-3-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine

N-[(7-methoxy-1H-indol-3-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine (PubChem CID 122186636) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[(7-methoxy-1H-indol-3-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-[(7-methoxy-1H-indol-3-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
PubChem CID122186636
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-[(7-methoxy-1H-indol-3-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
SMILESCOc1cccc2c(CNC3(c4ncc(-c5ccc(C)cc5)[nH]4)CCCC3)c[nH]c12
InChIInChI=1S/C25H28N4O/c1-17-8-10-18(11-9-17)21-16-27-24(29-21)25(12-3-4-13-25)28-15-19-14-26-23-20(19)6-5-7-22(23)30-2/h5-11,14,16,26,28H,3-4,12-13,15H2,1-2H3,(H,27,29)
InChIKeyPWCGBMBEZDCAFY-UHFFFAOYSA-N
XLogP5.43
TPSA65.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-1H-indol-3-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine?
The IUPAC name of N-[(7-methoxy-1H-indol-3-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine (CID 122186636) is N-[(7-methoxy-1H-indol-3-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine.
What is the SMILES notation for N-[(7-methoxy-1H-indol-3-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine?
The canonical SMILES for N-[(7-methoxy-1H-indol-3-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine is COc1cccc2c(CNC3(c4ncc(-c5ccc(C)cc5)[nH]4)CCCC3)c[nH]c12.
What is the InChIKey of N-[(7-methoxy-1H-indol-3-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine?
The InChIKey is PWCGBMBEZDCAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-17-8-10-18(11-9-17)21-16-27-24(29-21)25(12-3-4-13-25)28-15-19-14-26-23-20(19)6-5-7-22(23)30-2/h5-11,14,16,26,28H,3-4,12-13,15H2,1-2H3,(H,27,29).
What are the key properties of N-[(7-methoxy-1H-indol-3-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine?
N-[(7-methoxy-1H-indol-3-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine has a molecular weight of 400.53 g/mol, XLogP of 5.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-1H-indol-3-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 122186636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).