N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]propanamide

C19H21N3O2 — CID 737590

IUPACN-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]propanamide
SMILESCCC(=O)/N=c1\n(C)c2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-3-18(23)20-19-21(2)16-11-7-8-12-17(16)22(19)13-14-24-15-9-5-4-6-10-15/h4-12H,3,13-14H2,1-2H3/b20-19+
InChIKeyOJJRZSYJDFTULP-FMQUCBEESA-N
MW323.40 g/mol
LogP2.90
Rot. Bonds5

About N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]propanamide

N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]propanamide (PubChem CID 737590) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]propanamide.

Molecular Properties

Compound NameN-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]propanamide
PubChem CID737590
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]propanamide
SMILESCCC(=O)/N=c1\n(C)c2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-3-18(23)20-19-21(2)16-11-7-8-12-17(16)22(19)13-14-24-15-9-5-4-6-10-15/h4-12H,3,13-14H2,1-2H3/b20-19+
InChIKeyOJJRZSYJDFTULP-FMQUCBEESA-N
XLogP2.90
TPSA48.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]propanamide?
The IUPAC name of N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]propanamide (CID 737590) is N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]propanamide.
What is the SMILES notation for N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]propanamide?
The canonical SMILES for N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]propanamide is CCC(=O)/N=c1\n(C)c2ccccc2n1CCOc1ccccc1.
What is the InChIKey of N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]propanamide?
The InChIKey is OJJRZSYJDFTULP-FMQUCBEESA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-18(23)20-19-21(2)16-11-7-8-12-17(16)22(19)13-14-24-15-9-5-4-6-10-15/h4-12H,3,13-14H2,1-2H3/b20-19+.
What are the key properties of N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]propanamide?
N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]propanamide has a molecular weight of 323.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]propanamide is sourced from PubChem (CID 737590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).