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

C19H18FN3O2 — CID 110712137

IUPACN-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NCc1nc2ccccc2n1C1CC1
InChIInChI=1S/C19H18FN3O2/c20-14-5-1-4-8-17(14)25-12-19(24)21-11-18-22-15-6-2-3-7-16(15)23(18)13-9-10-13/h1-8,13H,9-12H2,(H,21,24)
InChIKeyUFWKIRBGIKYXRD-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.21
Rot. Bonds6

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

N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 110712137) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-fluorophenoxy)acetamide
PubChem CID110712137
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NCc1nc2ccccc2n1C1CC1
InChIInChI=1S/C19H18FN3O2/c20-14-5-1-4-8-17(14)25-12-19(24)21-11-18-22-15-6-2-3-7-16(15)23(18)13-9-10-13/h1-8,13H,9-12H2,(H,21,24)
InChIKeyUFWKIRBGIKYXRD-UHFFFAOYSA-N
XLogP3.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110712110
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 110712099
2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 146089283
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110712126
1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea
CID 110747246
2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 110712039
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
CID 49047342
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]isoquinoline-4-carboxamide
CID 166212126
2-(2-fluorophenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 71979329
1-(1-cyclopropylbenzimidazol-2-yl)-N-methylmethanamine
CID 43142730
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110712108
N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide
CID 51214747

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-fluorophenoxy)acetamide (CID 110712137) is N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)NCc1nc2ccccc2n1C1CC1.
What is the InChIKey of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is UFWKIRBGIKYXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-14-5-1-4-8-17(14)25-12-19(24)21-11-18-22-15-6-2-3-7-16(15)23(18)13-9-10-13/h1-8,13H,9-12H2,(H,21,24).
What are the key properties of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-fluorophenoxy)acetamide?
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 339.37 g/mol, XLogP of 3.21, 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-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 110712137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).