N-[4-[3-(aminomethyl)-1-ethyl-2-oxobenzimidazol-5-yl]-5-phenyl-1H-imidazol-2-yl]acetamide

C21H22N6O2 — CID 142168705

IUPACN-[4-[3-(aminomethyl)-1-ethyl-2-oxobenzimidazol-5-yl]-5-phenyl-1H-imidazol-2-yl]acetamide
SMILESCCn1c(=O)n(CN)c2cc(-c3nc(NC(C)=O)[nH]c3-c3ccccc3)ccc21
InChIInChI=1S/C21H22N6O2/c1-3-26-16-10-9-15(11-17(16)27(12-22)21(26)29)19-18(14-7-5-4-6-8-14)24-20(25-19)23-13(2)28/h4-11H,3,12,22H2,1-2H3,(H2,23,24,25,28)
InChIKeyPDNQELHOWSFOQM-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.75
Rot. Bonds5

About N-[4-[3-(aminomethyl)-1-ethyl-2-oxobenzimidazol-5-yl]-5-phenyl-1H-imidazol-2-yl]acetamide

N-[4-[3-(aminomethyl)-1-ethyl-2-oxobenzimidazol-5-yl]-5-phenyl-1H-imidazol-2-yl]acetamide (PubChem CID 142168705) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[4-[3-(aminomethyl)-1-ethyl-2-oxobenzimidazol-5-yl]-5-phenyl-1H-imidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(aminomethyl)-1-ethyl-2-oxobenzimidazol-5-yl]-5-phenyl-1H-imidazol-2-yl]acetamide
PubChem CID142168705
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[4-[3-(aminomethyl)-1-ethyl-2-oxobenzimidazol-5-yl]-5-phenyl-1H-imidazol-2-yl]acetamide
SMILESCCn1c(=O)n(CN)c2cc(-c3nc(NC(C)=O)[nH]c3-c3ccccc3)ccc21
InChIInChI=1S/C21H22N6O2/c1-3-26-16-10-9-15(11-17(16)27(12-22)21(26)29)19-18(14-7-5-4-6-8-14)24-20(25-19)23-13(2)28/h4-11H,3,12,22H2,1-2H3,(H2,23,24,25,28)
InChIKeyPDNQELHOWSFOQM-UHFFFAOYSA-N
XLogP2.75
TPSA110.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(aminomethyl)-1-ethyl-2-oxobenzimidazol-5-yl]-5-phenyl-1H-imidazol-2-yl]acetamide?
The IUPAC name of N-[4-[3-(aminomethyl)-1-ethyl-2-oxobenzimidazol-5-yl]-5-phenyl-1H-imidazol-2-yl]acetamide (CID 142168705) is N-[4-[3-(aminomethyl)-1-ethyl-2-oxobenzimidazol-5-yl]-5-phenyl-1H-imidazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[3-(aminomethyl)-1-ethyl-2-oxobenzimidazol-5-yl]-5-phenyl-1H-imidazol-2-yl]acetamide?
The canonical SMILES for N-[4-[3-(aminomethyl)-1-ethyl-2-oxobenzimidazol-5-yl]-5-phenyl-1H-imidazol-2-yl]acetamide is CCn1c(=O)n(CN)c2cc(-c3nc(NC(C)=O)[nH]c3-c3ccccc3)ccc21.
What is the InChIKey of N-[4-[3-(aminomethyl)-1-ethyl-2-oxobenzimidazol-5-yl]-5-phenyl-1H-imidazol-2-yl]acetamide?
The InChIKey is PDNQELHOWSFOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-3-26-16-10-9-15(11-17(16)27(12-22)21(26)29)19-18(14-7-5-4-6-8-14)24-20(25-19)23-13(2)28/h4-11H,3,12,22H2,1-2H3,(H2,23,24,25,28).
What are the key properties of N-[4-[3-(aminomethyl)-1-ethyl-2-oxobenzimidazol-5-yl]-5-phenyl-1H-imidazol-2-yl]acetamide?
N-[4-[3-(aminomethyl)-1-ethyl-2-oxobenzimidazol-5-yl]-5-phenyl-1H-imidazol-2-yl]acetamide has a molecular weight of 390.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(aminomethyl)-1-ethyl-2-oxobenzimidazol-5-yl]-5-phenyl-1H-imidazol-2-yl]acetamide is sourced from PubChem (CID 142168705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).