5-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-yl]pyrimidine

C17H16N4 — CID 59435380

IUPAC5-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-yl]pyrimidine
SMILESc1ncc(-c2ccc3c(c2)C(Cc2cnc[nH]2)CC3)cn1
InChIInChI=1S/C17H16N4/c1-3-13(15-7-18-10-19-8-15)6-17-12(1)2-4-14(17)5-16-9-20-11-21-16/h1,3,6-11,14H,2,4-5H2,(H,20,21)
InChIKeyMGASSJBMTZGUGS-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.14
Rot. Bonds3

About 5-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-yl]pyrimidine

5-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-yl]pyrimidine (PubChem CID 59435380) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-yl]pyrimidine.

Molecular Properties

Compound Name5-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-yl]pyrimidine
PubChem CID59435380
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name5-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-yl]pyrimidine
SMILESc1ncc(-c2ccc3c(c2)C(Cc2cnc[nH]2)CC3)cn1
InChIInChI=1S/C17H16N4/c1-3-13(15-7-18-10-19-8-15)6-17-12(1)2-4-14(17)5-16-9-20-11-21-16/h1,3,6-11,14H,2,4-5H2,(H,20,21)
InChIKeyMGASSJBMTZGUGS-UHFFFAOYSA-N
XLogP3.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-yl]pyrimidine?
The IUPAC name of 5-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-yl]pyrimidine (CID 59435380) is 5-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-yl]pyrimidine.
What is the SMILES notation for 5-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-yl]pyrimidine?
The canonical SMILES for 5-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-yl]pyrimidine is c1ncc(-c2ccc3c(c2)C(Cc2cnc[nH]2)CC3)cn1.
What is the InChIKey of 5-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-yl]pyrimidine?
The InChIKey is MGASSJBMTZGUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-3-13(15-7-18-10-19-8-15)6-17-12(1)2-4-14(17)5-16-9-20-11-21-16/h1,3,6-11,14H,2,4-5H2,(H,20,21).
What are the key properties of 5-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-yl]pyrimidine?
5-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-yl]pyrimidine has a molecular weight of 276.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-yl]pyrimidine is sourced from PubChem (CID 59435380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).