6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide

C13H18BrN5O — CID 135324563

IUPAC6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide
SMILESNCCC[C@H](N)CNC(=O)c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C13H18BrN5O/c14-8-3-4-10-11(6-8)19-12(18-10)13(20)17-7-9(16)2-1-5-15/h3-4,6,9H,1-2,5,7,15-16H2,(H,17,20)(H,18,19)/t9-/m0/s1
InChIKeyGFVRPCDKXVIELP-VIFPVBQESA-N
MW340.23 g/mol
LogP1.12
Rot. Bonds6

About 6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide

6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide (PubChem CID 135324563) has the molecular formula C13H18BrN5O and a molecular weight of 340.23 g/mol. Its IUPAC name is 6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide
PubChem CID135324563
Molecular FormulaC13H18BrN5O
Molecular Weight340.23 g/mol
Exact Mass339.07
IUPAC Name6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide
SMILESNCCC[C@H](N)CNC(=O)c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C13H18BrN5O/c14-8-3-4-10-11(6-8)19-12(18-10)13(20)17-7-9(16)2-1-5-15/h3-4,6,9H,1-2,5,7,15-16H2,(H,17,20)(H,18,19)/t9-/m0/s1
InChIKeyGFVRPCDKXVIELP-VIFPVBQESA-N
XLogP1.12
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 51.12
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
6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide
CID 135324687
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
N-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide
CID 135324583
1-(6-bromo-1H-benzimidazol-2-yl)pentane-1,5-diamine
CID 102547616
6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide
CID 135324569
6-bromo-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-benzimidazole-2-carboxamide
CID 91163173
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
[(2S)-5-azaniumyl-1-[[6-(4-methoxyphenyl)-1H-benzimidazole-2-carbonyl]amino]pentan-2-yl]azanium dichloride
CID 157444428
6-(3-chloro-4-fluorophenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide
CID 135324438

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of 6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide (CID 135324563) is 6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide is NCCC[C@H](N)CNC(=O)c1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide?
The InChIKey is GFVRPCDKXVIELP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18BrN5O/c14-8-3-4-10-11(6-8)19-12(18-10)13(20)17-7-9(16)2-1-5-15/h3-4,6,9H,1-2,5,7,15-16H2,(H,17,20)(H,18,19)/t9-/m0/s1.
What are the key properties of 6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide?
6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide has a molecular weight of 340.23 g/mol, XLogP of 1.12, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 135324563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).