N-[1-ethyl-2-(2-fluorophenyl)-7-(5-oxo-1,4-diazepane-1-carbonyl)benzimidazol-5-yl]acetamide

C23H24FN5O3 — CID 42471990

IUPACN-[1-ethyl-2-(2-fluorophenyl)-7-(5-oxo-1,4-diazepane-1-carbonyl)benzimidazol-5-yl]acetamide
SMILESCCn1c(-c2ccccc2F)nc2cc(NC(C)=O)cc(C(=O)N3CCNC(=O)CC3)c21
InChIInChI=1S/C23H24FN5O3/c1-3-29-21-17(23(32)28-10-8-20(31)25-9-11-28)12-15(26-14(2)30)13-19(21)27-22(29)16-6-4-5-7-18(16)24/h4-7,12-13H,3,8-11H2,1-2H3,(H,25,31)(H,26,30)
InChIKeyLAYLTCHFNNMGHG-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.78
Rot. Bonds4

About N-[1-ethyl-2-(2-fluorophenyl)-7-(5-oxo-1,4-diazepane-1-carbonyl)benzimidazol-5-yl]acetamide

N-[1-ethyl-2-(2-fluorophenyl)-7-(5-oxo-1,4-diazepane-1-carbonyl)benzimidazol-5-yl]acetamide (PubChem CID 42471990) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is N-[1-ethyl-2-(2-fluorophenyl)-7-(5-oxo-1,4-diazepane-1-carbonyl)benzimidazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-ethyl-2-(2-fluorophenyl)-7-(5-oxo-1,4-diazepane-1-carbonyl)benzimidazol-5-yl]acetamide
PubChem CID42471990
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC NameN-[1-ethyl-2-(2-fluorophenyl)-7-(5-oxo-1,4-diazepane-1-carbonyl)benzimidazol-5-yl]acetamide
SMILESCCn1c(-c2ccccc2F)nc2cc(NC(C)=O)cc(C(=O)N3CCNC(=O)CC3)c21
InChIInChI=1S/C23H24FN5O3/c1-3-29-21-17(23(32)28-10-8-20(31)25-9-11-28)12-15(26-14(2)30)13-19(21)27-22(29)16-6-4-5-7-18(16)24/h4-7,12-13H,3,8-11H2,1-2H3,(H,25,31)(H,26,30)
InChIKeyLAYLTCHFNNMGHG-UHFFFAOYSA-N
XLogP2.78
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]benzimidazole-4-carboxamide
CID 42375992
6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxamide
CID 28738928
6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzimidazole-4-carboxamide
CID 45165909
N-[3-ethyl-6-(4-ethylpiperazine-1-carbonyl)-2-(2-fluorophenyl)benzimidazol-4-yl]acetamide
CID 42246905
6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzimidazole-4-carboxamide
CID 42483858
N-[3-ethyl-2-(2-fluorophenyl)-6-(4-propylpiperazine-1-carbonyl)benzimidazol-4-yl]acetamide
CID 42323827
N-[1-ethyl-2-(3-methoxyphenyl)-7-(4-propylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide
CID 26400629
1-[4-(2,3-difluorophenyl)naphthalene-1-carbonyl]-1,4-diazepan-5-one
CID 172667632
N-[3-(5-oxo-1,4-diazepane-1-carbonyl)phenyl]acetamide
CID 62044906
1-(2-methylquinoline-4-carbonyl)-1,4-diazepan-5-one
CID 62045092
N-[3-ethyl-2-(2-fluorophenyl)-6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-4-yl]acetamide
CID 29183713
N-[1-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methylbenzimidazol-5-yl]acetamide
CID 42164622

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-2-(2-fluorophenyl)-7-(5-oxo-1,4-diazepane-1-carbonyl)benzimidazol-5-yl]acetamide?
The IUPAC name of N-[1-ethyl-2-(2-fluorophenyl)-7-(5-oxo-1,4-diazepane-1-carbonyl)benzimidazol-5-yl]acetamide (CID 42471990) is N-[1-ethyl-2-(2-fluorophenyl)-7-(5-oxo-1,4-diazepane-1-carbonyl)benzimidazol-5-yl]acetamide.
What is the SMILES notation for N-[1-ethyl-2-(2-fluorophenyl)-7-(5-oxo-1,4-diazepane-1-carbonyl)benzimidazol-5-yl]acetamide?
The canonical SMILES for N-[1-ethyl-2-(2-fluorophenyl)-7-(5-oxo-1,4-diazepane-1-carbonyl)benzimidazol-5-yl]acetamide is CCn1c(-c2ccccc2F)nc2cc(NC(C)=O)cc(C(=O)N3CCNC(=O)CC3)c21.
What is the InChIKey of N-[1-ethyl-2-(2-fluorophenyl)-7-(5-oxo-1,4-diazepane-1-carbonyl)benzimidazol-5-yl]acetamide?
The InChIKey is LAYLTCHFNNMGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-3-29-21-17(23(32)28-10-8-20(31)25-9-11-28)12-15(26-14(2)30)13-19(21)27-22(29)16-6-4-5-7-18(16)24/h4-7,12-13H,3,8-11H2,1-2H3,(H,25,31)(H,26,30).
What are the key properties of N-[1-ethyl-2-(2-fluorophenyl)-7-(5-oxo-1,4-diazepane-1-carbonyl)benzimidazol-5-yl]acetamide?
N-[1-ethyl-2-(2-fluorophenyl)-7-(5-oxo-1,4-diazepane-1-carbonyl)benzimidazol-5-yl]acetamide has a molecular weight of 437.48 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-2-(2-fluorophenyl)-7-(5-oxo-1,4-diazepane-1-carbonyl)benzimidazol-5-yl]acetamide is sourced from PubChem (CID 42471990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).