3-[5-amino-4-[3-(ethylcarbamoyl)benzoyl]imidazol-1-yl]-N-cyclopropyl-4-methylbenzamide

C24H25N5O3 — CID 24860659

IUPAC3-[5-amino-4-[3-(ethylcarbamoyl)benzoyl]imidazol-1-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCCNC(=O)c1cccc(C(=O)c2ncn(-c3cc(C(=O)NC4CC4)ccc3C)c2N)c1
InChIInChI=1S/C24H25N5O3/c1-3-26-23(31)16-6-4-5-15(11-16)21(30)20-22(25)29(13-27-20)19-12-17(8-7-14(19)2)24(32)28-18-9-10-18/h4-8,11-13,18H,3,9-10,25H2,1-2H3,(H,26,31)(H,28,32)
InChIKeyJJGUJEGHJRHSGU-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.64
Rot. Bonds7

About 3-[5-amino-4-[3-(ethylcarbamoyl)benzoyl]imidazol-1-yl]-N-cyclopropyl-4-methylbenzamide

3-[5-amino-4-[3-(ethylcarbamoyl)benzoyl]imidazol-1-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 24860659) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 3-[5-amino-4-[3-(ethylcarbamoyl)benzoyl]imidazol-1-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[5-amino-4-[3-(ethylcarbamoyl)benzoyl]imidazol-1-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID24860659
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name3-[5-amino-4-[3-(ethylcarbamoyl)benzoyl]imidazol-1-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCCNC(=O)c1cccc(C(=O)c2ncn(-c3cc(C(=O)NC4CC4)ccc3C)c2N)c1
InChIInChI=1S/C24H25N5O3/c1-3-26-23(31)16-6-4-5-15(11-16)21(30)20-22(25)29(13-27-20)19-12-17(8-7-14(19)2)24(32)28-18-9-10-18/h4-8,11-13,18H,3,9-10,25H2,1-2H3,(H,26,31)(H,28,32)
InChIKeyJJGUJEGHJRHSGU-UHFFFAOYSA-N
XLogP2.64
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-4-[3-(ethylcarbamoyl)benzoyl]imidazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[5-amino-4-[3-(ethylcarbamoyl)benzoyl]imidazol-1-yl]-N-cyclopropyl-4-methylbenzamide (CID 24860659) is 3-[5-amino-4-[3-(ethylcarbamoyl)benzoyl]imidazol-1-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[5-amino-4-[3-(ethylcarbamoyl)benzoyl]imidazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[5-amino-4-[3-(ethylcarbamoyl)benzoyl]imidazol-1-yl]-N-cyclopropyl-4-methylbenzamide is CCNC(=O)c1cccc(C(=O)c2ncn(-c3cc(C(=O)NC4CC4)ccc3C)c2N)c1.
What is the InChIKey of 3-[5-amino-4-[3-(ethylcarbamoyl)benzoyl]imidazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is JJGUJEGHJRHSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-3-26-23(31)16-6-4-5-15(11-16)21(30)20-22(25)29(13-27-20)19-12-17(8-7-14(19)2)24(32)28-18-9-10-18/h4-8,11-13,18H,3,9-10,25H2,1-2H3,(H,26,31)(H,28,32).
What are the key properties of 3-[5-amino-4-[3-(ethylcarbamoyl)benzoyl]imidazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
3-[5-amino-4-[3-(ethylcarbamoyl)benzoyl]imidazol-1-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 431.50 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-4-[3-(ethylcarbamoyl)benzoyl]imidazol-1-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 24860659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).