N-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide

C12H16N4O — CID 91520184

IUPACN-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCn1c(N)nc2ccccc21
InChIInChI=1S/C12H16N4O/c1-2-11(17)14-7-8-16-10-6-4-3-5-9(10)15-12(16)13/h3-6H,2,7-8H2,1H3,(H2,13,15)(H,14,17)
InChIKeySWDBBFVXJFXECO-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.14
Rot. Bonds4

About N-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide

N-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide (PubChem CID 91520184) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide
PubChem CID91520184
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCn1c(N)nc2ccccc21
InChIInChI=1S/C12H16N4O/c1-2-11(17)14-7-8-16-10-6-4-3-5-9(10)15-12(16)13/h3-6H,2,7-8H2,1H3,(H2,13,15)(H,14,17)
InChIKeySWDBBFVXJFXECO-UHFFFAOYSA-N
XLogP1.14
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-aminobenzimidazol-1-yl)ethyl]formamide
CID 87838534
N'-acetyl-2-(2-aminobenzimidazol-1-yl)acetohydrazide
CID 82358892
N-[3-(2-amino-7-ethylbenzimidazol-1-yl)propyl]propanamide
CID 69457605
2-(2-aminobenzimidazol-1-yl)-N-phenylacetamide
CID 82358872
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16974362
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
tert-butyl N-[2-[2-(2-aminobenzimidazol-1-yl)ethoxy]ethyl]carbamate
CID 166454289
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 559474
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 62839430

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide (CID 91520184) is N-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide is CCC(=O)NCCn1c(N)nc2ccccc21.
What is the InChIKey of N-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide?
The InChIKey is SWDBBFVXJFXECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-11(17)14-7-8-16-10-6-4-3-5-9(10)15-12(16)13/h3-6H,2,7-8H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of N-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide?
N-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide has a molecular weight of 232.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 91520184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).