N-(1-methylbenzimidazol-5-yl)propanamide

C11H13N3O — CID 947501

IUPACN-(1-methylbenzimidazol-5-yl)propanamide
SMILESCCC(=O)Nc1ccc2c(c1)ncn2C
InChIInChI=1S/C11H13N3O/c1-3-11(15)13-8-4-5-10-9(6-8)12-7-14(10)2/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyZNPCHJGLTHQFTM-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.92
Rot. Bonds2

About N-(1-methylbenzimidazol-5-yl)propanamide

N-(1-methylbenzimidazol-5-yl)propanamide (PubChem CID 947501) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(1-methylbenzimidazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(1-methylbenzimidazol-5-yl)propanamide
PubChem CID947501
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC NameN-(1-methylbenzimidazol-5-yl)propanamide
SMILESCCC(=O)Nc1ccc2c(c1)ncn2C
InChIInChI=1S/C11H13N3O/c1-3-11(15)13-8-4-5-10-9(6-8)12-7-14(10)2/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyZNPCHJGLTHQFTM-UHFFFAOYSA-N
XLogP1.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylbenzimidazol-5-yl)propanamide?
The IUPAC name of N-(1-methylbenzimidazol-5-yl)propanamide (CID 947501) is N-(1-methylbenzimidazol-5-yl)propanamide.
What is the SMILES notation for N-(1-methylbenzimidazol-5-yl)propanamide?
The canonical SMILES for N-(1-methylbenzimidazol-5-yl)propanamide is CCC(=O)Nc1ccc2c(c1)ncn2C.
What is the InChIKey of N-(1-methylbenzimidazol-5-yl)propanamide?
The InChIKey is ZNPCHJGLTHQFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-11(15)13-8-4-5-10-9(6-8)12-7-14(10)2/h4-7H,3H2,1-2H3,(H,13,15).
What are the key properties of N-(1-methylbenzimidazol-5-yl)propanamide?
N-(1-methylbenzimidazol-5-yl)propanamide has a molecular weight of 203.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylbenzimidazol-5-yl)propanamide is sourced from PubChem (CID 947501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).