N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide

C13H18N4O — CID 115158058

IUPACN-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide
SMILESCCNCC(=O)NCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C13H18N4O/c1-2-14-8-13(18)15-6-5-10-3-4-11-12(7-10)17-9-16-11/h3-4,7,9,14H,2,5-6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyDOSVPTCWCAJAIM-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.83
Rot. Bonds6

About N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide

N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide (PubChem CID 115158058) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide
PubChem CID115158058
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide
SMILESCCNCC(=O)NCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C13H18N4O/c1-2-14-8-13(18)15-6-5-10-3-4-11-12(7-10)17-9-16-11/h3-4,7,9,14H,2,5-6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyDOSVPTCWCAJAIM-UHFFFAOYSA-N
XLogP0.83
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide
CID 110791317
N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 110791381
4-[2-(3H-benzimidazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 115163730
N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide
CID 115157714
2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115158063
N-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110791377
3-[2-(3H-benzimidazol-5-yl)ethylamino]-2-methylpropanoic acid
CID 115219571
4-(3H-benzimidazol-5-yl)butan-2-one
CID 82405049
1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
CID 115136178
ethyl 2-(3H-benzimidazol-5-ylmethylamino)acetate
CID 115257391
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297
N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
CID 146094481

Frequently Asked Questions

What is the IUPAC name of N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide?
The IUPAC name of N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide (CID 115158058) is N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide.
What is the SMILES notation for N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide?
The canonical SMILES for N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide is CCNCC(=O)NCCc1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide?
The InChIKey is DOSVPTCWCAJAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-14-8-13(18)15-6-5-10-3-4-11-12(7-10)17-9-16-11/h3-4,7,9,14H,2,5-6,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide?
N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide has a molecular weight of 246.31 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide is sourced from PubChem (CID 115158058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).