N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide

C30H32FN3O2 — CID 18733454

IUPACN-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide
SMILESCC(C)CN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C30H32FN3O2/c1-21(2)19-33(30(35)22-9-8-14-26(17-22)36-25-12-4-3-5-13-25)20-29-32-27-18-23(31)15-16-28(27)34(29)24-10-6-7-11-24/h3-5,8-9,12-18,21,24H,6-7,10-11,19-20H2,1-2H3
InChIKeyIXVBTFPDXBSFPE-UHFFFAOYSA-N
MW485.60 g/mol
LogP7.38
Rot. Bonds8

About N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide

N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide (PubChem CID 18733454) has the molecular formula C30H32FN3O2 and a molecular weight of 485.60 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide
PubChem CID18733454
Molecular FormulaC30H32FN3O2
Molecular Weight485.60 g/mol
Exact Mass485.25
IUPAC NameN-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide
SMILESCC(C)CN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C30H32FN3O2/c1-21(2)19-33(30(35)22-9-8-14-26(17-22)36-25-12-4-3-5-13-25)20-29-32-27-18-23(31)15-16-28(27)34(29)24-10-6-7-11-24/h3-5,8-9,12-18,21,24H,6-7,10-11,19-20H2,1-2H3
InChIKeyIXVBTFPDXBSFPE-UHFFFAOYSA-N
XLogP7.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.60
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mchb-1
CID 44561533
Ketone, 1-(2-(diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolyl methyl
CID 25957
1-(4-Fluorophenyl)-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16012671
1-benzyl-4-{1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
CID 4754175
2-(4-ethoxybenzyl)-1-(cyclopentylmethyl)-N,N-diethyl-1H-benzo[d]imidazole-5-carboxamide
CID 24863434
2-(4-ethoxybenzyl)-N,N-diethyl-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazole-5-carboxamide
CID 44561005
3-[(1S)-1-(5-fluoro-1-methylbenzimidazol-2-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]ethyl]-1-(4-phenoxyphenyl)imidazolidine-2,4-dione
CID 145956999
3-[(1S)-2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-(1,6-dimethylbenzimidazol-2-yl)ethyl]-1-(4-phenoxyphenyl)imidazolidine-2,4-dione
CID 145957458
3-[(1S)-2-(1-acetylpiperidin-4-yl)-1-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-(4-phenoxyphenyl)imidazolidine-2,4-dione
CID 145972671
3-[(1S)-1-(1,6-dimethylbenzimidazol-2-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]ethyl]-1-[4-(4-fluorophenoxy)phenyl]imidazolidine-2,4-dione
CID 155522755
3-[(1S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]ethyl]-1-[4-(4-fluorophenoxy)phenyl]imidazolidine-2,4-dione
CID 162665739
N-[5-(1H-1,3-Benzodiazol-2-YL)-2-methylphenyl]-3-propoxybenzamide
CID 15991043

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide?
The IUPAC name of N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide (CID 18733454) is N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide?
The canonical SMILES for N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide is CC(C)CN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide?
The InChIKey is IXVBTFPDXBSFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3O2/c1-21(2)19-33(30(35)22-9-8-14-26(17-22)36-25-12-4-3-5-13-25)20-29-32-27-18-23(31)15-16-28(27)34(29)24-10-6-7-11-24/h3-5,8-9,12-18,21,24H,6-7,10-11,19-20H2,1-2H3.
What are the key properties of N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide?
N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide has a molecular weight of 485.60 g/mol, XLogP of 7.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide is sourced from PubChem (CID 18733454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).