2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide

C14H18N4O — CID 116675730

IUPAC2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
SMILESCc1nc2ccc(NC(=O)C(C)C3CNC3)cc2[nH]1
InChIInChI=1S/C14H18N4O/c1-8(10-6-15-7-10)14(19)18-11-3-4-12-13(5-11)17-9(2)16-12/h3-5,8,10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZEZCFVUMFATVTI-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.67
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide

2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide (PubChem CID 116675730) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
PubChem CID116675730
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
SMILESCc1nc2ccc(NC(=O)C(C)C3CNC3)cc2[nH]1
InChIInChI=1S/C14H18N4O/c1-8(10-6-15-7-10)14(19)18-11-3-4-12-13(5-11)17-9(2)16-12/h3-5,8,10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZEZCFVUMFATVTI-UHFFFAOYSA-N
XLogP1.67
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 103515060
2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 116675268
2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 79195442
2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 115187183
N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569
(2S)-2-amino-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79024217
2-(azetidin-3-yl)-N-(1,3-benzothiazol-6-yl)propanamide
CID 107805144
N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
CID 116674626
(2R)-N-(2-methyl-3H-benzimidazol-5-yl)-2-(2-oxopyrrolidin-1-yl)propanamide
CID 92604255
3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 43700582
N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337
5-[2-(azetidin-3-yl)propanoylamino]-2-chlorobenzoic acid
CID 116675875

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide (CID 116675730) is 2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide is Cc1nc2ccc(NC(=O)C(C)C3CNC3)cc2[nH]1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide?
The InChIKey is ZEZCFVUMFATVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-8(10-6-15-7-10)14(19)18-11-3-4-12-13(5-11)17-9(2)16-12/h3-5,8,10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide?
2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide has a molecular weight of 258.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide is sourced from PubChem (CID 116675730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).