N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide

C20H21N3O2 — CID 110712110

IUPACN-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCc2nc3ccccc3n2C2CC2)cc1
InChIInChI=1S/C20H21N3O2/c1-14-6-10-16(11-7-14)25-13-20(24)21-12-19-22-17-4-2-3-5-18(17)23(19)15-8-9-15/h2-7,10-11,15H,8-9,12-13H2,1H3,(H,21,24)
InChIKeyHGAUDSXYSFHWJT-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.37
Rot. Bonds6

About N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide

N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide (PubChem CID 110712110) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide
PubChem CID110712110
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCc2nc3ccccc3n2C2CC2)cc1
InChIInChI=1S/C20H21N3O2/c1-14-6-10-16(11-7-14)25-13-20(24)21-12-19-22-17-4-2-3-5-18(17)23(19)15-8-9-15/h2-7,10-11,15H,8-9,12-13H2,1H3,(H,21,24)
InChIKeyHGAUDSXYSFHWJT-UHFFFAOYSA-N
XLogP3.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 110712137
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110712126
2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 146089283
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 110712099
2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 110712039
1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea
CID 110747246
N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110416090
N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide
CID 17006087
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 154793757
1-(1-cyclopropylbenzimidazol-2-yl)-N-methylmethanamine
CID 43142730
N-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
CID 993353
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]isoquinoline-4-carboxamide
CID 166212126

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide (CID 110712110) is N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCc2nc3ccccc3n2C2CC2)cc1.
What is the InChIKey of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is HGAUDSXYSFHWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-6-10-16(11-7-14)25-13-20(24)21-12-19-22-17-4-2-3-5-18(17)23(19)15-8-9-15/h2-7,10-11,15H,8-9,12-13H2,1H3,(H,21,24).
What are the key properties of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide?
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 110712110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).