N-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide

C13H18N4O — CID 96675307

IUPACN-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide
SMILESCCc1nc2ccc(NC(=O)CCNC)cc2[nH]1
InChIInChI=1S/C13H18N4O/c1-3-12-16-10-5-4-9(8-11(10)17-12)15-13(18)6-7-14-2/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyDCKVVLQIPYLGOS-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.67
Rot. Bonds5

About N-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide

N-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide (PubChem CID 96675307) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide
PubChem CID96675307
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide
SMILESCCc1nc2ccc(NC(=O)CCNC)cc2[nH]1
InChIInChI=1S/C13H18N4O/c1-3-12-16-10-5-4-9(8-11(10)17-12)15-13(18)6-7-14-2/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyDCKVVLQIPYLGOS-UHFFFAOYSA-N
XLogP1.67
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide?
The IUPAC name of N-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide (CID 96675307) is N-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide.
What is the SMILES notation for N-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide?
The canonical SMILES for N-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide is CCc1nc2ccc(NC(=O)CCNC)cc2[nH]1.
What is the InChIKey of N-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide?
The InChIKey is DCKVVLQIPYLGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-12-16-10-5-4-9(8-11(10)17-12)15-13(18)6-7-14-2/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide?
N-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide has a molecular weight of 246.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide is sourced from PubChem (CID 96675307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).