N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]azetidine-3-carboxamide

C21H21FN4O2 — CID 110246361

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]azetidine-3-carboxamide
SMILESCC(NC(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H21FN4O2/c1-13(20-24-17-4-2-3-5-18(17)25-20)23-21(28)15-11-26(12-15)19(27)10-14-6-8-16(22)9-7-14/h2-9,13,15H,10-12H2,1H3,(H,23,28)(H,24,25)
InChIKeyNVBUFDNNDDKCSW-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.58
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]azetidine-3-carboxamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]azetidine-3-carboxamide (PubChem CID 110246361) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]azetidine-3-carboxamide
PubChem CID110246361
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]azetidine-3-carboxamide
SMILESCC(NC(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H21FN4O2/c1-13(20-24-17-4-2-3-5-18(17)25-20)23-21(28)15-11-26(12-15)19(27)10-14-6-8-16(22)9-7-14/h2-9,13,15H,10-12H2,1H3,(H,23,28)(H,24,25)
InChIKeyNVBUFDNNDDKCSW-UHFFFAOYSA-N
XLogP2.58
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]azetidine-3-carboxamide
CID 92633122
4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672761
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide
CID 18116415
tert-butyl 4-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 39966598
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119834530
2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 75136988
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 2328668
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18116519
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 25345580
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 18116312

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]azetidine-3-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]azetidine-3-carboxamide (CID 110246361) is N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]azetidine-3-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]azetidine-3-carboxamide is CC(NC(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]azetidine-3-carboxamide?
The InChIKey is NVBUFDNNDDKCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-13(20-24-17-4-2-3-5-18(17)25-20)23-21(28)15-11-26(12-15)19(27)10-14-6-8-16(22)9-7-14/h2-9,13,15H,10-12H2,1H3,(H,23,28)(H,24,25).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]azetidine-3-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]azetidine-3-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]azetidine-3-carboxamide is sourced from PubChem (CID 110246361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).