N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide

C13H17N3O — CID 110791451

IUPACN-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C13H17N3O/c1-3-13(17)14-7-6-10-4-5-11-12(8-10)16-9(2)15-11/h4-5,8H,3,6-7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyWIEFLOYBGFQCMH-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.94
Rot. Bonds4

About N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide

N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide (PubChem CID 110791451) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
PubChem CID110791451
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C13H17N3O/c1-3-13(17)14-7-6-10-4-5-11-12(8-10)16-9(2)15-11/h4-5,8H,3,6-7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyWIEFLOYBGFQCMH-UHFFFAOYSA-N
XLogP1.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167417
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791481
2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791460
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692472
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid
CID 82498408
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791037
N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide
CID 116846538
1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide
CID 110791557
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648
N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
CID 116847491

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide (CID 110791451) is N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide is CCC(=O)NCCc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide?
The InChIKey is WIEFLOYBGFQCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-13(17)14-7-6-10-4-5-11-12(8-10)16-9(2)15-11/h4-5,8H,3,6-7H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide?
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide has a molecular weight of 231.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 110791451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).