N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine

C27H27N5O2 — CID 91369525

IUPACN,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4N=O)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,24H,6,10,15-16H2,1-2H3,(H,29,30)
InChIKeyZLWRKMXLUCZVAR-UHFFFAOYSA-N
MW453.55 g/mol
LogP5.50
Rot. Bonds8

About N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine

N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine (PubChem CID 91369525) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine
PubChem CID91369525
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC NameN,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4N=O)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,24H,6,10,15-16H2,1-2H3,(H,29,30)
InChIKeyZLWRKMXLUCZVAR-UHFFFAOYSA-N
XLogP5.50
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.55
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine (CID 91369525) is N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine is CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4N=O)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine?
The InChIKey is ZLWRKMXLUCZVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,24H,6,10,15-16H2,1-2H3,(H,29,30).
What are the key properties of N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine?
N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine has a molecular weight of 453.55 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine is sourced from PubChem (CID 91369525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).