5-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-one

C26H28F2N4O3 — CID 45203049

IUPAC5-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CC2(CCC(=O)N3CCCC3c3nc4ccc(F)cc4[nH]3)CCC(=O)N2)c(F)c1
InChIInChI=1S/C26H28F2N4O3/c1-35-18-6-4-16(19(28)14-18)15-26(10-8-23(33)31-26)11-9-24(34)32-12-2-3-22(32)25-29-20-7-5-17(27)13-21(20)30-25/h4-7,13-14,22H,2-3,8-12,15H2,1H3,(H,29,30)(H,31,33)
InChIKeyKFHYPGNGQVUOCJ-UHFFFAOYSA-N
MW482.53 g/mol
LogP4.18
Rot. Bonds7

About 5-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-one

5-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 45203049) has the molecular formula C26H28F2N4O3 and a molecular weight of 482.53 g/mol. Its IUPAC name is 5-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID45203049
Molecular FormulaC26H28F2N4O3
Molecular Weight482.53 g/mol
Exact Mass482.21
IUPAC Name5-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CC2(CCC(=O)N3CCCC3c3nc4ccc(F)cc4[nH]3)CCC(=O)N2)c(F)c1
InChIInChI=1S/C26H28F2N4O3/c1-35-18-6-4-16(19(28)14-18)15-26(10-8-23(33)31-26)11-9-24(34)32-12-2-3-22(32)25-29-20-7-5-17(27)13-21(20)30-25/h4-7,13-14,22H,2-3,8-12,15H2,1H3,(H,29,30)(H,31,33)
InChIKeyKFHYPGNGQVUOCJ-UHFFFAOYSA-N
XLogP4.18
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-3-(4-methoxy-phenyl)-acrylamide
CID 674471
3-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 16195313
6-(2-(3-(2-methoxy-5-(trifluoromethyl)phenyl)ureido)ethyl)-N-methyl-1H-benzo[d]imidazole-2-carboxamide
CID 11407902
N-(6-(2-(3-(2-(pyrrolidin-2-ylmethoxy)-5-(trifluoromethyl)phenyl)ureido)ethyl)-1H-benzo[d]imidazol-2-yl)acetamide
CID 11477628
(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
CID 15949516
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4''-methoxybiphenyl-4-yl)methanone
CID 44565808
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4''-(trifluoromethoxy)biphenyl-4-yl)methanone
CID 44565824
methyl 5-((3-(1H-benzo[d]imidazol-2-yl)propyl)(methyl)amino)-2-isopropyl-2-(4-methoxyphenyl)pentanoate
CID 44577816
1-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone
CID 154688890
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 1509371
2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole
CID 697370
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 663726

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-one (CID 45203049) is 5-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-one is COc1ccc(CC2(CCC(=O)N3CCCC3c3nc4ccc(F)cc4[nH]3)CCC(=O)N2)c(F)c1.
What is the InChIKey of 5-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is KFHYPGNGQVUOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O3/c1-35-18-6-4-16(19(28)14-18)15-26(10-8-23(33)31-26)11-9-24(34)32-12-2-3-22(32)25-29-20-7-5-17(27)13-21(20)30-25/h4-7,13-14,22H,2-3,8-12,15H2,1H3,(H,29,30)(H,31,33).
What are the key properties of 5-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-one?
5-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 482.53 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 45203049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).