2-(benzimidazol-1-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]propanamide

C19H18N4O2 — CID 86946514

IUPAC2-(benzimidazol-1-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1cccc(OCC#N)c1)n1cnc2ccccc21
InChIInChI=1S/C19H18N4O2/c1-14(23-13-22-17-7-2-3-8-18(17)23)19(24)21-12-15-5-4-6-16(11-15)25-10-9-20/h2-8,11,13-14H,10,12H2,1H3,(H,21,24)
InChIKeyHDMJFTPTXBMJEG-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.82
Rot. Bonds6

About 2-(benzimidazol-1-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]propanamide

2-(benzimidazol-1-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]propanamide (PubChem CID 86946514) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]propanamide
PubChem CID86946514
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-(benzimidazol-1-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1cccc(OCC#N)c1)n1cnc2ccccc21
InChIInChI=1S/C19H18N4O2/c1-14(23-13-22-17-7-2-3-8-18(17)23)19(24)21-12-15-5-4-6-16(11-15)25-10-9-20/h2-8,11,13-14H,10,12H2,1H3,(H,21,24)
InChIKeyHDMJFTPTXBMJEG-UHFFFAOYSA-N
XLogP2.82
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide
CID 90650920
benzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate
CID 43063893
(2S)-2-(benzimidazol-1-yl)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]propanamide
CID 51950236
(2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 95148434
2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide
CID 75679386
(2S)-2-(benzimidazol-1-yl)-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]propanamide
CID 99974414
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
2-[3-[(2-pyrazol-1-ylpropanoylamino)methyl]phenoxy]acetic acid
CID 119246406
(2S)-2-(benzimidazol-1-yl)-N-[4-(4-chlorophenoxy)butyl]propanamide
CID 51729342
N-[[3-(cyanomethoxy)phenyl]methyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 86955871
2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 71939914
2-(benzimidazol-1-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 47057339

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]propanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]propanamide (CID 86946514) is 2-(benzimidazol-1-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]propanamide is CC(C(=O)NCc1cccc(OCC#N)c1)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]propanamide?
The InChIKey is HDMJFTPTXBMJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-14(23-13-22-17-7-2-3-8-18(17)23)19(24)21-12-15-5-4-6-16(11-15)25-10-9-20/h2-8,11,13-14H,10,12H2,1H3,(H,21,24).
What are the key properties of 2-(benzimidazol-1-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]propanamide?
2-(benzimidazol-1-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]propanamide has a molecular weight of 334.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 86946514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).