4-[2-methyl-3-(naphthalen-1-ylmethyl)-7-nitrosobenzimidazol-5-yl]morpholine

C23H22N4O2 — CID 87277230

IUPAC4-[2-methyl-3-(naphthalen-1-ylmethyl)-7-nitrosobenzimidazol-5-yl]morpholine
SMILESCc1nc2c(N=O)cc(N3CCOCC3)cc2n1Cc1cccc2ccccc12
InChIInChI=1S/C23H22N4O2/c1-16-24-23-21(25-28)13-19(26-9-11-29-12-10-26)14-22(23)27(16)15-18-7-4-6-17-5-2-3-8-20(17)18/h2-8,13-14H,9-12,15H2,1H3
InChIKeyCYNYTUAEHHVDKE-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.78
Rot. Bonds4

About 4-[2-methyl-3-(naphthalen-1-ylmethyl)-7-nitrosobenzimidazol-5-yl]morpholine

4-[2-methyl-3-(naphthalen-1-ylmethyl)-7-nitrosobenzimidazol-5-yl]morpholine (PubChem CID 87277230) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-[2-methyl-3-(naphthalen-1-ylmethyl)-7-nitrosobenzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-3-(naphthalen-1-ylmethyl)-7-nitrosobenzimidazol-5-yl]morpholine
PubChem CID87277230
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name4-[2-methyl-3-(naphthalen-1-ylmethyl)-7-nitrosobenzimidazol-5-yl]morpholine
SMILESCc1nc2c(N=O)cc(N3CCOCC3)cc2n1Cc1cccc2ccccc12
InChIInChI=1S/C23H22N4O2/c1-16-24-23-21(25-28)13-19(26-9-11-29-12-10-26)14-22(23)27(16)15-18-7-4-6-17-5-2-3-8-20(17)18/h2-8,13-14H,9-12,15H2,1H3
InChIKeyCYNYTUAEHHVDKE-UHFFFAOYSA-N
XLogP4.78
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-(naphthalen-1-ylmethyl)-7-nitrosobenzimidazol-5-yl]morpholine?
The IUPAC name of 4-[2-methyl-3-(naphthalen-1-ylmethyl)-7-nitrosobenzimidazol-5-yl]morpholine (CID 87277230) is 4-[2-methyl-3-(naphthalen-1-ylmethyl)-7-nitrosobenzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-3-(naphthalen-1-ylmethyl)-7-nitrosobenzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[2-methyl-3-(naphthalen-1-ylmethyl)-7-nitrosobenzimidazol-5-yl]morpholine is Cc1nc2c(N=O)cc(N3CCOCC3)cc2n1Cc1cccc2ccccc12.
What is the InChIKey of 4-[2-methyl-3-(naphthalen-1-ylmethyl)-7-nitrosobenzimidazol-5-yl]morpholine?
The InChIKey is CYNYTUAEHHVDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-16-24-23-21(25-28)13-19(26-9-11-29-12-10-26)14-22(23)27(16)15-18-7-4-6-17-5-2-3-8-20(17)18/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of 4-[2-methyl-3-(naphthalen-1-ylmethyl)-7-nitrosobenzimidazol-5-yl]morpholine?
4-[2-methyl-3-(naphthalen-1-ylmethyl)-7-nitrosobenzimidazol-5-yl]morpholine has a molecular weight of 386.46 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-(naphthalen-1-ylmethyl)-7-nitrosobenzimidazol-5-yl]morpholine is sourced from PubChem (CID 87277230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).