N-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide

C12H16N4O — CID 91470485

IUPACN-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(CCN)NC(=O)c1cccc2[nH]cnc12
InChIInChI=1S/C12H16N4O/c1-8(5-6-13)16-12(17)9-3-2-4-10-11(9)15-7-14-10/h2-4,7-8H,5-6,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyLTHAGRBVHZBMAG-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.03
Rot. Bonds4

About N-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide

N-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 91470485) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID91470485
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(CCN)NC(=O)c1cccc2[nH]cnc12
InChIInChI=1S/C12H16N4O/c1-8(5-6-13)16-12(17)9-3-2-4-10-11(9)15-7-14-10/h2-4,7-8H,5-6,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyLTHAGRBVHZBMAG-UHFFFAOYSA-N
XLogP1.03
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-1H-benzimidazole-4-carboxamide
CID 110700889
N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide
CID 104613993
1H-benzimidazole-4-carboxylic acid
CID 2771758
N-(4-aminobutan-2-yl)-2-bromobenzamide
CID 139298037
N-(1H-benzimidazol-4-yl)formamide;2-fluoro-N-(1-phenylpropan-2-yl)benzamide
CID 167477236
N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-benzimidazole-4-carboxamide
CID 67509380
N-cyclopropyl-1H-benzimidazole-4-carboxamide
CID 110700811
N-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide
CID 110700914
lithium 1H-benzimidazole-4-carboxylate
CID 141288016
N-[(4-methylsulfanylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide
CID 90962785
N-(2-ethoxyphenyl)-1H-benzimidazole-4-carboxamide
CID 110700925
N-[4-(dimethylamino)phenyl]-1H-benzimidazole-4-carboxamide
CID 110700946

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide (CID 91470485) is N-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide is CC(CCN)NC(=O)c1cccc2[nH]cnc12.
What is the InChIKey of N-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is LTHAGRBVHZBMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8(5-6-13)16-12(17)9-3-2-4-10-11(9)15-7-14-10/h2-4,7-8H,5-6,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide?
N-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 91470485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).