1-(2-bromo-4-propan-2-ylphenyl)-N-(cyclopropylmethyl)-6-methyl-N-propyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide

C23H31BrN4O — CID 142157128

IUPAC1-(2-bromo-4-propan-2-ylphenyl)-N-(cyclopropylmethyl)-6-methyl-N-propyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1c(C)nc2n1CCN2c1ccc(C(C)C)cc1Br
InChIInChI=1S/C23H31BrN4O/c1-5-10-26(14-17-6-7-17)22(29)21-16(4)25-23-27(11-12-28(21)23)20-9-8-18(15(2)3)13-19(20)24/h8-9,13,15,17H,5-7,10-12,14H2,1-4H3
InChIKeyMVKFEQHBKIIZJJ-UHFFFAOYSA-N
MW459.43 g/mol
LogP5.49
Rot. Bonds7

About 1-(2-bromo-4-propan-2-ylphenyl)-N-(cyclopropylmethyl)-6-methyl-N-propyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide

1-(2-bromo-4-propan-2-ylphenyl)-N-(cyclopropylmethyl)-6-methyl-N-propyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide (PubChem CID 142157128) has the molecular formula C23H31BrN4O and a molecular weight of 459.43 g/mol. Its IUPAC name is 1-(2-bromo-4-propan-2-ylphenyl)-N-(cyclopropylmethyl)-6-methyl-N-propyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-bromo-4-propan-2-ylphenyl)-N-(cyclopropylmethyl)-6-methyl-N-propyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide
PubChem CID142157128
Molecular FormulaC23H31BrN4O
Molecular Weight459.43 g/mol
Exact Mass458.17
IUPAC Name1-(2-bromo-4-propan-2-ylphenyl)-N-(cyclopropylmethyl)-6-methyl-N-propyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1c(C)nc2n1CCN2c1ccc(C(C)C)cc1Br
InChIInChI=1S/C23H31BrN4O/c1-5-10-26(14-17-6-7-17)22(29)21-16(4)25-23-27(11-12-28(21)23)20-9-8-18(15(2)3)13-19(20)24/h8-9,13,15,17H,5-7,10-12,14H2,1-4H3
InChIKeyMVKFEQHBKIIZJJ-UHFFFAOYSA-N
XLogP5.49
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.43
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2-bromo-4-propan-2-ylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate
CID 20780229
2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
CID 60637824
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
CID 79714030
2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide
CID 60669039
3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide
CID 104502211
N-(cyclopropylmethyl)-3-hydroxy-N-propylnaphthalene-2-carboxamide
CID 60654196
5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid
CID 60722178
1-(2-chloro-4,6-dimethylphenyl)-N-(cyclopropylmethyl)-6-ethyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide
CID 20780026
N-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide
CID 7576734
(2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide
CID 93193539
N-(2-cyclopropylethyl)-N,6-diethyl-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide
CID 20780251

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-propan-2-ylphenyl)-N-(cyclopropylmethyl)-6-methyl-N-propyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide?
The IUPAC name of 1-(2-bromo-4-propan-2-ylphenyl)-N-(cyclopropylmethyl)-6-methyl-N-propyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide (CID 142157128) is 1-(2-bromo-4-propan-2-ylphenyl)-N-(cyclopropylmethyl)-6-methyl-N-propyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide.
What is the SMILES notation for 1-(2-bromo-4-propan-2-ylphenyl)-N-(cyclopropylmethyl)-6-methyl-N-propyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide?
The canonical SMILES for 1-(2-bromo-4-propan-2-ylphenyl)-N-(cyclopropylmethyl)-6-methyl-N-propyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide is CCCN(CC1CC1)C(=O)c1c(C)nc2n1CCN2c1ccc(C(C)C)cc1Br.
What is the InChIKey of 1-(2-bromo-4-propan-2-ylphenyl)-N-(cyclopropylmethyl)-6-methyl-N-propyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide?
The InChIKey is MVKFEQHBKIIZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31BrN4O/c1-5-10-26(14-17-6-7-17)22(29)21-16(4)25-23-27(11-12-28(21)23)20-9-8-18(15(2)3)13-19(20)24/h8-9,13,15,17H,5-7,10-12,14H2,1-4H3.
What are the key properties of 1-(2-bromo-4-propan-2-ylphenyl)-N-(cyclopropylmethyl)-6-methyl-N-propyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide?
1-(2-bromo-4-propan-2-ylphenyl)-N-(cyclopropylmethyl)-6-methyl-N-propyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide has a molecular weight of 459.43 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-propan-2-ylphenyl)-N-(cyclopropylmethyl)-6-methyl-N-propyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide is sourced from PubChem (CID 142157128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).