N-(cyclopropylmethyl)-2-ethyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide

C28H34N4O — CID 20780125

IUPACN-(cyclopropylmethyl)-2-ethyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1c(CC)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12
InChIInChI=1S/C28H34N4O/c1-6-14-30(17-21-12-13-21)27(33)26-22(7-2)29-28-31(23-10-8-9-11-24(23)32(26)28)25-19(4)15-18(3)16-20(25)5/h8-11,15-16,21H,6-7,12-14,17H2,1-5H3
InChIKeyVWSFBISLKOMVDX-UHFFFAOYSA-N
MW442.61 g/mol
LogP6.03
Rot. Bonds7

About N-(cyclopropylmethyl)-2-ethyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide

N-(cyclopropylmethyl)-2-ethyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide (PubChem CID 20780125) has the molecular formula C28H34N4O and a molecular weight of 442.61 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-ethyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-ethyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide
PubChem CID20780125
Molecular FormulaC28H34N4O
Molecular Weight442.61 g/mol
Exact Mass442.27
IUPAC NameN-(cyclopropylmethyl)-2-ethyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1c(CC)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12
InChIInChI=1S/C28H34N4O/c1-6-14-30(17-21-12-13-21)27(33)26-22(7-2)29-28-31(23-10-8-9-11-24(23)32(26)28)25-19(4)15-18(3)16-20(25)5/h8-11,15-16,21H,6-7,12-14,17H2,1-5H3
InChIKeyVWSFBISLKOMVDX-UHFFFAOYSA-N
XLogP6.03
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-ethyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-ethyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide (CID 20780125) is N-(cyclopropylmethyl)-2-ethyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-ethyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-ethyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide is CCCN(CC1CC1)C(=O)c1c(CC)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12.
What is the InChIKey of N-(cyclopropylmethyl)-2-ethyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide?
The InChIKey is VWSFBISLKOMVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O/c1-6-14-30(17-21-12-13-21)27(33)26-22(7-2)29-28-31(23-10-8-9-11-24(23)32(26)28)25-19(4)15-18(3)16-20(25)5/h8-11,15-16,21H,6-7,12-14,17H2,1-5H3.
What are the key properties of N-(cyclopropylmethyl)-2-ethyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide?
N-(cyclopropylmethyl)-2-ethyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide has a molecular weight of 442.61 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-ethyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide is sourced from PubChem (CID 20780125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).