N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide

C29H30FN5O2 — CID 42826428

IUPACN-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCN(C)C)CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C29H30FN5O2/c1-21-9-11-23(12-10-21)28(37)34(18-17-33(2)3)20-27(36)32-29-31-26(22-7-5-4-6-8-22)19-35(29)25-15-13-24(30)14-16-25/h4-16,19H,17-18,20H2,1-3H3,(H,31,32,36)
InChIKeyJEECKIHWOWGGMJ-UHFFFAOYSA-N
MW499.59 g/mol
LogP4.63
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide

N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide (PubChem CID 42826428) has the molecular formula C29H30FN5O2 and a molecular weight of 499.59 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
PubChem CID42826428
Molecular FormulaC29H30FN5O2
Molecular Weight499.59 g/mol
Exact Mass499.24
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCN(C)C)CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C29H30FN5O2/c1-21-9-11-23(12-10-21)28(37)34(18-17-33(2)3)20-27(36)32-29-31-26(22-7-5-4-6-8-22)19-35(29)25-15-13-24(30)14-16-25/h4-16,19H,17-18,20H2,1-3H3,(H,31,32,36)
InChIKeyJEECKIHWOWGGMJ-UHFFFAOYSA-N
XLogP4.63
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide (CID 42826428) is N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)N(CCN(C)C)CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is JEECKIHWOWGGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN5O2/c1-21-9-11-23(12-10-21)28(37)34(18-17-33(2)3)20-27(36)32-29-31-26(22-7-5-4-6-8-22)19-35(29)25-15-13-24(30)14-16-25/h4-16,19H,17-18,20H2,1-3H3,(H,31,32,36).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide?
N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 499.59 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 42826428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).