N-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide

C20H24FN5O — CID 135324583

IUPACN-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide
SMILESNCCC[C@H](N)CNC(=O)Cc1nc2ccc(-c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C20H24FN5O/c21-15-6-3-13(4-7-15)14-5-8-17-18(10-14)26-19(25-17)11-20(27)24-12-16(23)2-1-9-22/h3-8,10,16H,1-2,9,11-12,22-23H2,(H,24,27)(H,25,26)/t16-/m0/s1
InChIKeyWCNDMAMCQIYBQF-INIZCTEOSA-N
MW369.44 g/mol
LogP2.09
Rot. Bonds8

About N-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide

N-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide (PubChem CID 135324583) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide
PubChem CID135324583
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC NameN-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide
SMILESNCCC[C@H](N)CNC(=O)Cc1nc2ccc(-c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C20H24FN5O/c21-15-6-3-13(4-7-15)14-5-8-17-18(10-14)26-19(25-17)11-20(27)24-12-16(23)2-1-9-22/h3-8,10,16H,1-2,9,11-12,22-23H2,(H,24,27)(H,25,26)/t16-/m0/s1
InChIKeyWCNDMAMCQIYBQF-INIZCTEOSA-N
XLogP2.09
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide
CID 157297296
N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride
CID 135324109
N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide
CID 135324548
N-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride
CID 135324525
N-[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]-6-(4-fluorophenyl)-1H-benzimidazole-2-carboxamide
CID 142426079
6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide
CID 135324563
N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide
CID 137385157
1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide
CID 135324430
N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide
CID 135324542
4-[2-[[(2R)-2,5-diaminopentyl]carbamoyl]-6-(4-fluorophenyl)-1H-indol-3-yl]benzoic acid
CID 137385206
6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide
CID 135324569
3-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride
CID 154944440

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide?
The IUPAC name of N-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide (CID 135324583) is N-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide?
The canonical SMILES for N-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide is NCCC[C@H](N)CNC(=O)Cc1nc2ccc(-c3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of N-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide?
The InChIKey is WCNDMAMCQIYBQF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24FN5O/c21-15-6-3-13(4-7-15)14-5-8-17-18(10-14)26-19(25-17)11-20(27)24-12-16(23)2-1-9-22/h3-8,10,16H,1-2,9,11-12,22-23H2,(H,24,27)(H,25,26)/t16-/m0/s1.
What are the key properties of N-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide?
N-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide has a molecular weight of 369.44 g/mol, XLogP of 2.09, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide is sourced from PubChem (CID 135324583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).