N-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide

C18H18FN5O2 — CID 86988262

IUPACN-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NC(=O)NC(C)c2nc3ccccc3[nH]2)ccc1F
InChIInChI=1S/C18H18FN5O2/c1-10(17-23-14-5-3-4-6-15(14)24-17)20-18(26)22-12-7-8-13(19)16(9-12)21-11(2)25/h3-10H,1-2H3,(H,21,25)(H,23,24)(H2,20,22,26)
InChIKeyAKGASPMALPULGU-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.54
Rot. Bonds4

About N-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide

N-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide (PubChem CID 86988262) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide
PubChem CID86988262
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC NameN-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NC(=O)NC(C)c2nc3ccccc3[nH]2)ccc1F
InChIInChI=1S/C18H18FN5O2/c1-10(17-23-14-5-3-4-6-15(14)24-17)20-18(26)22-12-7-8-13(19)16(9-12)21-11(2)25/h3-10H,1-2H3,(H,21,25)(H,23,24)(H2,20,22,26)
InChIKeyAKGASPMALPULGU-UHFFFAOYSA-N
XLogP3.54
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 2906148
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea
CID 18129110
2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide
CID 86988501
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea
CID 18144661
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 25345385
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446
2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 75136988
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 86988041
N-[5-[[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide
CID 99785702

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide (CID 86988262) is N-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide is CC(=O)Nc1cc(NC(=O)NC(C)c2nc3ccccc3[nH]2)ccc1F.
What is the InChIKey of N-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide?
The InChIKey is AKGASPMALPULGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-10(17-23-14-5-3-4-6-15(14)24-17)20-18(26)22-12-7-8-13(19)16(9-12)21-11(2)25/h3-10H,1-2H3,(H,21,25)(H,23,24)(H2,20,22,26).
What are the key properties of N-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide?
N-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide has a molecular weight of 355.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 86988262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).