N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide

C22H25N3O3 — CID 46986153

IUPACN-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESCOc1ccccc1CN(C(=O)COCc1nc2ccc(C)cc2[nH]1)C1CC1
InChIInChI=1S/C22H25N3O3/c1-15-7-10-18-19(11-15)24-21(23-18)13-28-14-22(26)25(17-8-9-17)12-16-5-3-4-6-20(16)27-2/h3-7,10-11,17H,8-9,12-14H2,1-2H3,(H,23,24)
InChIKeyGCRKEQREGSWJDR-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.59
Rot. Bonds8

About N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide

N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide (PubChem CID 46986153) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
PubChem CID46986153
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESCOc1ccccc1CN(C(=O)COCc1nc2ccc(C)cc2[nH]1)C1CC1
InChIInChI=1S/C22H25N3O3/c1-15-7-10-18-19(11-15)24-21(23-18)13-28-14-22(26)25(17-8-9-17)12-16-5-3-4-6-20(16)27-2/h3-7,10-11,17H,8-9,12-14H2,1-2H3,(H,23,24)
InChIKeyGCRKEQREGSWJDR-UHFFFAOYSA-N
XLogP3.59
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The IUPAC name of N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide (CID 46986153) is N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The canonical SMILES for N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide is COc1ccccc1CN(C(=O)COCc1nc2ccc(C)cc2[nH]1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The InChIKey is GCRKEQREGSWJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15-7-10-18-19(11-15)24-21(23-18)13-28-14-22(26)25(17-8-9-17)12-16-5-3-4-6-20(16)27-2/h3-7,10-11,17H,8-9,12-14H2,1-2H3,(H,23,24).
What are the key properties of N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide has a molecular weight of 379.46 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide is sourced from PubChem (CID 46986153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).