methyl N-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-indol-5-yl]carbamate

C14H16N4O2 — CID 59468808

IUPACmethyl N-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-indol-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)C(Cc1cnc[nH]1)CN2
InChIInChI=1S/C14H16N4O2/c1-20-14(19)18-10-2-3-13-12(5-10)9(6-16-13)4-11-7-15-8-17-11/h2-3,5,7-9,16H,4,6H2,1H3,(H,15,17)(H,18,19)
InChIKeyRCRLVXDOMXBLLC-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.34
Rot. Bonds3

About methyl N-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-indol-5-yl]carbamate

methyl N-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-indol-5-yl]carbamate (PubChem CID 59468808) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is methyl N-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-indol-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-indol-5-yl]carbamate
PubChem CID59468808
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Namemethyl N-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-indol-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)C(Cc1cnc[nH]1)CN2
InChIInChI=1S/C14H16N4O2/c1-20-14(19)18-10-2-3-13-12(5-10)9(6-16-13)4-11-7-15-8-17-11/h2-3,5,7-9,16H,4,6H2,1H3,(H,15,17)(H,18,19)
InChIKeyRCRLVXDOMXBLLC-UHFFFAOYSA-N
XLogP2.34
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-indol-5-yl]carbamate?
The IUPAC name of methyl N-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-indol-5-yl]carbamate (CID 59468808) is methyl N-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-indol-5-yl]carbamate.
What is the SMILES notation for methyl N-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-indol-5-yl]carbamate?
The canonical SMILES for methyl N-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-indol-5-yl]carbamate is COC(=O)Nc1ccc2c(c1)C(Cc1cnc[nH]1)CN2.
What is the InChIKey of methyl N-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-indol-5-yl]carbamate?
The InChIKey is RCRLVXDOMXBLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-20-14(19)18-10-2-3-13-12(5-10)9(6-16-13)4-11-7-15-8-17-11/h2-3,5,7-9,16H,4,6H2,1H3,(H,15,17)(H,18,19).
What are the key properties of methyl N-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-indol-5-yl]carbamate?
methyl N-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-indol-5-yl]carbamate has a molecular weight of 272.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-indol-5-yl]carbamate is sourced from PubChem (CID 59468808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).