N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide

C25H31N3O2 — CID 16975206

IUPACN-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1ccc(OCCn2c(CCNC(=O)C3CC3)nc3ccccc32)cc1
InChIInChI=1S/C25H31N3O2/c1-25(2,3)19-10-12-20(13-11-19)30-17-16-28-22-7-5-4-6-21(22)27-23(28)14-15-26-24(29)18-8-9-18/h4-7,10-13,18H,8-9,14-17H2,1-3H3,(H,26,29)
InChIKeyMXKQJZFNLAMYJV-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.48
Rot. Bonds8

About N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide

N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide (PubChem CID 16975206) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
PubChem CID16975206
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1ccc(OCCn2c(CCNC(=O)C3CC3)nc3ccccc32)cc1
InChIInChI=1S/C25H31N3O2/c1-25(2,3)19-10-12-20(13-11-19)30-17-16-28-22-7-5-4-6-21(22)27-23(28)14-15-26-24(29)18-8-9-18/h4-7,10-13,18H,8-9,14-17H2,1-3H3,(H,26,29)
InChIKeyMXKQJZFNLAMYJV-UHFFFAOYSA-N
XLogP4.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968473
N-[5-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16989070
N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974448
N-[2-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974216
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975801
N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16979947
N-[3-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981677
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969825
N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16979785
N-[2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975254
N-[2-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975091
N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975142

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide (CID 16975206) is N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide is CC(C)(C)c1ccc(OCCn2c(CCNC(=O)C3CC3)nc3ccccc32)cc1.
What is the InChIKey of N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is MXKQJZFNLAMYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-25(2,3)19-10-12-20(13-11-19)30-17-16-28-22-7-5-4-6-21(22)27-23(28)14-15-26-24(29)18-8-9-18/h4-7,10-13,18H,8-9,14-17H2,1-3H3,(H,26,29).
What are the key properties of N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 405.54 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 16975206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).