2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide

C15H20FN5O2 — CID 90650123

IUPAC2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
SMILESCN(C)C(=O)NCC(=O)NCCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H20FN5O2/c1-21(2)15(23)18-9-14(22)17-7-3-4-13-19-11-6-5-10(16)8-12(11)20-13/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,22)(H,18,23)(H,19,20)
InChIKeyBTCUKBXTFWJTAJ-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.02
Rot. Bonds6

About 2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide

2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide (PubChem CID 90650123) has the molecular formula C15H20FN5O2 and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
PubChem CID90650123
Molecular FormulaC15H20FN5O2
Molecular Weight321.36 g/mol
Exact Mass321.16
IUPAC Name2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
SMILESCN(C)C(=O)NCC(=O)NCCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H20FN5O2/c1-21(2)15(23)18-9-14(22)17-7-3-4-13-19-11-6-5-10(16)8-12(11)20-13/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,22)(H,18,23)(H,19,20)
InChIKeyBTCUKBXTFWJTAJ-UHFFFAOYSA-N
XLogP1.02
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide
CID 91781034
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
CID 90653183
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 91775402
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 162625615
(3S)-3-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97196027
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanamide
CID 51593462
2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 118775456
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118781489
6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 133378556
(3R)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]oxolane-3-carboxamide
CID 125179191
(1R,2R,4R)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 46972732

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide (CID 90650123) is 2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide is CN(C)C(=O)NCC(=O)NCCCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide?
The InChIKey is BTCUKBXTFWJTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O2/c1-21(2)15(23)18-9-14(22)17-7-3-4-13-19-11-6-5-10(16)8-12(11)20-13/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,22)(H,18,23)(H,19,20).
What are the key properties of 2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide?
2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide has a molecular weight of 321.36 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide is sourced from PubChem (CID 90650123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).