N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide

C21H25N3O — CID 3674726

IUPACN-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
SMILESCC(C)Cn1c(C(C)NC(=O)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C21H25N3O/c1-15(2)14-24-19-12-8-7-11-18(19)23-21(24)16(3)22-20(25)13-17-9-5-4-6-10-17/h4-12,15-16H,13-14H2,1-3H3,(H,22,25)
InChIKeyFJRBJBCPZLEGLN-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.11
Rot. Bonds6

About N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide

N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide (PubChem CID 3674726) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
PubChem CID3674726
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
SMILESCC(C)Cn1c(C(C)NC(=O)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C21H25N3O/c1-15(2)14-24-19-12-8-7-11-18(19)23-21(24)16(3)22-20(25)13-17-9-5-4-6-10-17/h4-12,15-16H,13-14H2,1-3H3,(H,22,25)
InChIKeyFJRBJBCPZLEGLN-UHFFFAOYSA-N
XLogP4.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide?
The IUPAC name of N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide (CID 3674726) is N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide is CC(C)Cn1c(C(C)NC(=O)Cc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide?
The InChIKey is FJRBJBCPZLEGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-15(2)14-24-19-12-8-7-11-18(19)23-21(24)16(3)22-20(25)13-17-9-5-4-6-10-17/h4-12,15-16H,13-14H2,1-3H3,(H,22,25).
What are the key properties of N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide?
N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide has a molecular weight of 335.45 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 3674726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).