N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine

C23H27N5 — CID 53322839

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine
SMILESC[C@H](C1=C(CCN(C)Cc2nccn2C)Cc2ccccc21)c1cnccn1
InChIInChI=1S/C23H27N5/c1-17(21-15-24-9-10-25-21)23-19(14-18-6-4-5-7-20(18)23)8-12-27(2)16-22-26-11-13-28(22)3/h4-7,9-11,13,15,17H,8,12,14,16H2,1-3H3/t17-/m0/s1
InChIKeyKRLJKEOQHOYBSK-KRWDZBQOSA-N
MW373.50 g/mol
LogP3.85
Rot. Bonds7

About N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine (PubChem CID 53322839) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine
PubChem CID53322839
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine
SMILESC[C@H](C1=C(CCN(C)Cc2nccn2C)Cc2ccccc21)c1cnccn1
InChIInChI=1S/C23H27N5/c1-17(21-15-24-9-10-25-21)23-19(14-18-6-4-5-7-20(18)23)8-12-27(2)16-22-26-11-13-28(22)3/h4-7,9-11,13,15,17H,8,12,14,16H2,1-3H3/t17-/m0/s1
InChIKeyKRLJKEOQHOYBSK-KRWDZBQOSA-N
XLogP3.85
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine (CID 53322839) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine is C[C@H](C1=C(CCN(C)Cc2nccn2C)Cc2ccccc21)c1cnccn1.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine?
The InChIKey is KRLJKEOQHOYBSK-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N5/c1-17(21-15-24-9-10-25-21)23-19(14-18-6-4-5-7-20(18)23)8-12-27(2)16-22-26-11-13-28(22)3/h4-7,9-11,13,15,17H,8,12,14,16H2,1-3H3/t17-/m0/s1.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine has a molecular weight of 373.50 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-[(1R)-1-pyrazin-2-ylethyl]-1H-inden-2-yl]ethanamine is sourced from PubChem (CID 53322839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).