3-[5-amino-1-[3-(2-cyclopropylacetyl)phenyl]imidazole-4-carbonyl]-N-cyclopentylbenzamide

C27H28N4O3 — CID 58200801

IUPAC3-[5-amino-1-[3-(2-cyclopropylacetyl)phenyl]imidazole-4-carbonyl]-N-cyclopentylbenzamide
SMILESNc1c(C(=O)c2cccc(C(=O)NC3CCCC3)c2)ncn1-c1cccc(C(=O)CC2CC2)c1
InChIInChI=1S/C27H28N4O3/c28-26-24(25(33)19-6-3-7-20(14-19)27(34)30-21-8-1-2-9-21)29-16-31(26)22-10-4-5-18(15-22)23(32)13-17-11-12-17/h3-7,10,14-17,21H,1-2,8-9,11-13,28H2,(H,30,34)
InChIKeyQJSDUFBXNKLHLI-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.34
Rot. Bonds8

About 3-[5-amino-1-[3-(2-cyclopropylacetyl)phenyl]imidazole-4-carbonyl]-N-cyclopentylbenzamide

3-[5-amino-1-[3-(2-cyclopropylacetyl)phenyl]imidazole-4-carbonyl]-N-cyclopentylbenzamide (PubChem CID 58200801) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 3-[5-amino-1-[3-(2-cyclopropylacetyl)phenyl]imidazole-4-carbonyl]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name3-[5-amino-1-[3-(2-cyclopropylacetyl)phenyl]imidazole-4-carbonyl]-N-cyclopentylbenzamide
PubChem CID58200801
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name3-[5-amino-1-[3-(2-cyclopropylacetyl)phenyl]imidazole-4-carbonyl]-N-cyclopentylbenzamide
SMILESNc1c(C(=O)c2cccc(C(=O)NC3CCCC3)c2)ncn1-c1cccc(C(=O)CC2CC2)c1
InChIInChI=1S/C27H28N4O3/c28-26-24(25(33)19-6-3-7-20(14-19)27(34)30-21-8-1-2-9-21)29-16-31(26)22-10-4-5-18(15-22)23(32)13-17-11-12-17/h3-7,10,14-17,21H,1-2,8-9,11-13,28H2,(H,30,34)
InChIKeyQJSDUFBXNKLHLI-UHFFFAOYSA-N
XLogP4.34
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-amino-4-[3-(ethylcarbamoyl)benzoyl]imidazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 24860659
N-cyclopropyl-3-imidazo[4,5-b]pyridin-3-ylbenzamide
CID 46277251
3-carbamothioyl-N-cyclopentylbenzamide
CID 24691849
N-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
benzene-1,3-dicarbonyl chloride;cyclohexanamine;1-N,3-N-dicyclohexylbenzene-1,3-dicarboxamide
CID 157227536
N-cyclohexyl-3-piperazin-1-ylbenzamide
CID 28748940
4-(benzimidazol-1-yl)-N-cyclopentylbenzamide
CID 22110686
3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109055977
1-(4-chlorophenyl)-9-[3-(2-cyclohexylacetyl)phenyl]-2-(4-phenylphenyl)purin-6-one
CID 159581560
N-cycloheptyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051684
3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide
CID 119846678
N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 119478135

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-1-[3-(2-cyclopropylacetyl)phenyl]imidazole-4-carbonyl]-N-cyclopentylbenzamide?
The IUPAC name of 3-[5-amino-1-[3-(2-cyclopropylacetyl)phenyl]imidazole-4-carbonyl]-N-cyclopentylbenzamide (CID 58200801) is 3-[5-amino-1-[3-(2-cyclopropylacetyl)phenyl]imidazole-4-carbonyl]-N-cyclopentylbenzamide.
What is the SMILES notation for 3-[5-amino-1-[3-(2-cyclopropylacetyl)phenyl]imidazole-4-carbonyl]-N-cyclopentylbenzamide?
The canonical SMILES for 3-[5-amino-1-[3-(2-cyclopropylacetyl)phenyl]imidazole-4-carbonyl]-N-cyclopentylbenzamide is Nc1c(C(=O)c2cccc(C(=O)NC3CCCC3)c2)ncn1-c1cccc(C(=O)CC2CC2)c1.
What is the InChIKey of 3-[5-amino-1-[3-(2-cyclopropylacetyl)phenyl]imidazole-4-carbonyl]-N-cyclopentylbenzamide?
The InChIKey is QJSDUFBXNKLHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c28-26-24(25(33)19-6-3-7-20(14-19)27(34)30-21-8-1-2-9-21)29-16-31(26)22-10-4-5-18(15-22)23(32)13-17-11-12-17/h3-7,10,14-17,21H,1-2,8-9,11-13,28H2,(H,30,34).
What are the key properties of 3-[5-amino-1-[3-(2-cyclopropylacetyl)phenyl]imidazole-4-carbonyl]-N-cyclopentylbenzamide?
3-[5-amino-1-[3-(2-cyclopropylacetyl)phenyl]imidazole-4-carbonyl]-N-cyclopentylbenzamide has a molecular weight of 456.55 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-1-[3-(2-cyclopropylacetyl)phenyl]imidazole-4-carbonyl]-N-cyclopentylbenzamide is sourced from PubChem (CID 58200801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).