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

C27H32N4O — CID 20780124

IUPACN-(cyclopropylmethyl)-2-methyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12
InChIInChI=1S/C27H32N4O/c1-6-13-29(16-21-11-12-21)26(32)25-20(5)28-27-30(22-9-7-8-10-23(22)31(25)27)24-18(3)14-17(2)15-19(24)4/h7-10,14-15,21H,6,11-13,16H2,1-5H3
InChIKeyLEFBXJJDOJQUSV-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.77
Rot. Bonds6

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

N-(cyclopropylmethyl)-2-methyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide (PubChem CID 20780124) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide
PubChem CID20780124
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC NameN-(cyclopropylmethyl)-2-methyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12
InChIInChI=1S/C27H32N4O/c1-6-13-29(16-21-11-12-21)26(32)25-20(5)28-27-30(22-9-7-8-10-23(22)31(25)27)24-18(3)14-17(2)15-19(24)4/h7-10,14-15,21H,6,11-13,16H2,1-5H3
InChIKeyLEFBXJJDOJQUSV-UHFFFAOYSA-N
XLogP5.77
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-methyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide (CID 20780124) is N-(cyclopropylmethyl)-2-methyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-methyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide is CCCN(CC1CC1)C(=O)c1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12.
What is the InChIKey of N-(cyclopropylmethyl)-2-methyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide?
The InChIKey is LEFBXJJDOJQUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-6-13-29(16-21-11-12-21)26(32)25-20(5)28-27-30(22-9-7-8-10-23(22)31(25)27)24-18(3)14-17(2)15-19(24)4/h7-10,14-15,21H,6,11-13,16H2,1-5H3.
What are the key properties of N-(cyclopropylmethyl)-2-methyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide?
N-(cyclopropylmethyl)-2-methyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazole-1-carboxamide is sourced from PubChem (CID 20780124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).