N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide

C24H26ClFN4O3 — CID 45238139

IUPACN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
SMILESCOc1cc(CC2(CCC(=O)NCCc3nc4ccc(Cl)cc4[nH]3)CCC(=O)N2)ccc1F
InChIInChI=1S/C24H26ClFN4O3/c1-33-20-12-15(2-4-17(20)26)14-24(10-7-23(32)30-24)9-6-22(31)27-11-8-21-28-18-5-3-16(25)13-19(18)29-21/h2-5,12-13H,6-11,14H2,1H3,(H,27,31)(H,28,29)(H,30,32)
InChIKeyBQPIGSYHSDCWIN-UHFFFAOYSA-N
MW472.95 g/mol
LogP3.69
Rot. Bonds9

About N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide

N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide (PubChem CID 45238139) has the molecular formula C24H26ClFN4O3 and a molecular weight of 472.95 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
PubChem CID45238139
Molecular FormulaC24H26ClFN4O3
Molecular Weight472.95 g/mol
Exact Mass472.17
IUPAC NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
SMILESCOc1cc(CC2(CCC(=O)NCCc3nc4ccc(Cl)cc4[nH]3)CCC(=O)N2)ccc1F
InChIInChI=1S/C24H26ClFN4O3/c1-33-20-12-15(2-4-17(20)26)14-24(10-7-23(32)30-24)9-6-22(31)27-11-8-21-28-18-5-3-16(25)13-19(18)29-21/h2-5,12-13H,6-11,14H2,1H3,(H,27,31)(H,28,29)(H,30,32)
InChIKeyBQPIGSYHSDCWIN-UHFFFAOYSA-N
XLogP3.69
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.95
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide (CID 45238139) is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The canonical SMILES for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide is COc1cc(CC2(CCC(=O)NCCc3nc4ccc(Cl)cc4[nH]3)CCC(=O)N2)ccc1F.
What is the InChIKey of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The InChIKey is BQPIGSYHSDCWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O3/c1-33-20-12-15(2-4-17(20)26)14-24(10-7-23(32)30-24)9-6-22(31)27-11-8-21-28-18-5-3-16(25)13-19(18)29-21/h2-5,12-13H,6-11,14H2,1H3,(H,27,31)(H,28,29)(H,30,32).
What are the key properties of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide has a molecular weight of 472.95 g/mol, XLogP of 3.69, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide is sourced from PubChem (CID 45238139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).