N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide

C20H22N4O2 — CID 2837113

IUPACN-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C20H22N4O2/c25-19(16-6-2-1-3-7-16)22-20-21-17-8-4-5-9-18(17)24(20)11-10-23-12-14-26-15-13-23/h1-9H,10-15H2,(H,21,22,25)
InChIKeyPHIPAXHASXZJAR-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.62
Rot. Bonds5

About N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide

N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide (PubChem CID 2837113) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide
PubChem CID2837113
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C20H22N4O2/c25-19(16-6-2-1-3-7-16)22-20-21-17-8-4-5-9-18(17)24(20)11-10-23-12-14-26-15-13-23/h1-9H,10-15H2,(H,21,22,25)
InChIKeyPHIPAXHASXZJAR-UHFFFAOYSA-N
XLogP2.62
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide?
The IUPAC name of N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide (CID 2837113) is N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide?
The canonical SMILES for N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide is O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1ccccc1.
What is the InChIKey of N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide?
The InChIKey is PHIPAXHASXZJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19(16-6-2-1-3-7-16)22-20-21-17-8-4-5-9-18(17)24(20)11-10-23-12-14-26-15-13-23/h1-9H,10-15H2,(H,21,22,25).
What are the key properties of N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide?
N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 2837113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).