N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide

C23H21N5O3 — CID 36824061

IUPACN-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESNC(=O)Nc1cccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C23H21N5O3/c24-23(30)26-17-8-6-7-16(13-17)25-22(29)14-28-20-12-5-4-11-19(20)27-21(28)15-31-18-9-2-1-3-10-18/h1-13H,14-15H2,(H,25,29)(H3,24,26,30)
InChIKeyOIDFAJDZXGAENX-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.74
Rot. Bonds7

About N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide

N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 36824061) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
PubChem CID36824061
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC NameN-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESNC(=O)Nc1cccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C23H21N5O3/c24-23(30)26-17-8-6-7-16(13-17)25-22(29)14-28-20-12-5-4-11-19(20)27-21(28)15-31-18-9-2-1-3-10-18/h1-13H,14-15H2,(H,25,29)(H3,24,26,30)
InChIKeyOIDFAJDZXGAENX-UHFFFAOYSA-N
XLogP3.74
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157
N-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 60532359
2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17031925
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 26124824
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17032167
N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031971
N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032304
N-(6-methoxy-3-pyridinyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 8001739
N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
N-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031923
2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 99139728

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (CID 36824061) is N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide is NC(=O)Nc1cccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c1.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is OIDFAJDZXGAENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c24-23(30)26-17-8-6-7-16(13-17)25-22(29)14-28-20-12-5-4-11-19(20)27-21(28)15-31-18-9-2-1-3-10-18/h1-13H,14-15H2,(H,25,29)(H3,24,26,30).
What are the key properties of N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 415.45 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 36824061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).