2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide

C25H23ClN4O2 — CID 112803907

IUPAC2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C25H23ClN4O2/c26-18-8-12-21(13-9-18)32-17-24-28-22-6-1-2-7-23(22)30(24)16-25(31)29(20-10-11-20)15-19-5-3-4-14-27-19/h1-9,12-14,20H,10-11,15-17H2
InChIKeyYUVMQYUDSUOXPU-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.85
Rot. Bonds8

About 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide

2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 112803907) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID112803907
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C25H23ClN4O2/c26-18-8-12-21(13-9-18)32-17-24-28-22-6-1-2-7-23(22)30(24)16-25(31)29(20-10-11-20)15-19-5-3-4-14-27-19/h1-9,12-14,20H,10-11,15-17H2
InChIKeyYUVMQYUDSUOXPU-UHFFFAOYSA-N
XLogP4.85
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide
CID 112816966
N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997050
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 16997147
N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 16998435
N-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide
CID 16998804
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157
1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone
CID 119380723
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 5184272
N-(3-acetamidopropyl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-methylacetamide
CID 86967889
N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide
CID 119551273
1-[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide
CID 78902802

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide (CID 112803907) is 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide is O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)N(Cc1ccccn1)C1CC1.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is YUVMQYUDSUOXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c26-18-8-12-21(13-9-18)32-17-24-28-22-6-1-2-7-23(22)30(24)16-25(31)29(20-10-11-20)15-19-5-3-4-14-27-19/h1-9,12-14,20H,10-11,15-17H2.
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide?
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 446.94 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 112803907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).