N-[2-(benzimidazol-1-yl)ethyl]-1-propan-2-ylindole-3-carboxamide

C21H22N4O — CID 71705073

IUPACN-[2-(benzimidazol-1-yl)ethyl]-1-propan-2-ylindole-3-carboxamide
SMILESCC(C)n1cc(C(=O)NCCn2cnc3ccccc32)c2ccccc21
InChIInChI=1S/C21H22N4O/c1-15(2)25-13-17(16-7-3-5-9-19(16)25)21(26)22-11-12-24-14-23-18-8-4-6-10-20(18)24/h3-10,13-15H,11-12H2,1-2H3,(H,22,26)
InChIKeyVJDBAPRZZPAMOV-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.00
Rot. Bonds5

About N-[2-(benzimidazol-1-yl)ethyl]-1-propan-2-ylindole-3-carboxamide

N-[2-(benzimidazol-1-yl)ethyl]-1-propan-2-ylindole-3-carboxamide (PubChem CID 71705073) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)ethyl]-1-propan-2-ylindole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)ethyl]-1-propan-2-ylindole-3-carboxamide
PubChem CID71705073
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[2-(benzimidazol-1-yl)ethyl]-1-propan-2-ylindole-3-carboxamide
SMILESCC(C)n1cc(C(=O)NCCn2cnc3ccccc32)c2ccccc21
InChIInChI=1S/C21H22N4O/c1-15(2)25-13-17(16-7-3-5-9-19(16)25)21(26)22-11-12-24-14-23-18-8-4-6-10-20(18)24/h3-10,13-15H,11-12H2,1-2H3,(H,22,26)
InChIKeyVJDBAPRZZPAMOV-UHFFFAOYSA-N
XLogP4.00
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide
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CID 86912487
N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
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N-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide
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2-(benzimidazol-1-yl)ethyl 2-methylpropanoate
CID 166930267
2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide
CID 61247629
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N-(benzimidazol-1-ylmethyl)-2-fluorobenzamide
CID 71357542

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-1-propan-2-ylindole-3-carboxamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-1-propan-2-ylindole-3-carboxamide (CID 71705073) is N-[2-(benzimidazol-1-yl)ethyl]-1-propan-2-ylindole-3-carboxamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)ethyl]-1-propan-2-ylindole-3-carboxamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)ethyl]-1-propan-2-ylindole-3-carboxamide is CC(C)n1cc(C(=O)NCCn2cnc3ccccc32)c2ccccc21.
What is the InChIKey of N-[2-(benzimidazol-1-yl)ethyl]-1-propan-2-ylindole-3-carboxamide?
The InChIKey is VJDBAPRZZPAMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15(2)25-13-17(16-7-3-5-9-19(16)25)21(26)22-11-12-24-14-23-18-8-4-6-10-20(18)24/h3-10,13-15H,11-12H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(benzimidazol-1-yl)ethyl]-1-propan-2-ylindole-3-carboxamide?
N-[2-(benzimidazol-1-yl)ethyl]-1-propan-2-ylindole-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)ethyl]-1-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 71705073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).