2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-yl-3H-benzimidazole-5-carboxamide

C16H19N5O2 — CID 56753280

IUPAC2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)N(Cc3noc(C)n3)C(C)C)cc2[nH]1
InChIInChI=1S/C16H19N5O2/c1-9(2)21(8-15-19-11(4)23-20-15)16(22)12-5-6-13-14(7-12)18-10(3)17-13/h5-7,9H,8H2,1-4H3,(H,17,18)
InChIKeyQKUGKMNIEXMENF-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.61
Rot. Bonds4

About 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-yl-3H-benzimidazole-5-carboxamide

2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-yl-3H-benzimidazole-5-carboxamide (PubChem CID 56753280) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-yl-3H-benzimidazole-5-carboxamide
PubChem CID56753280
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)N(Cc3noc(C)n3)C(C)C)cc2[nH]1
InChIInChI=1S/C16H19N5O2/c1-9(2)21(8-15-19-11(4)23-20-15)16(22)12-5-6-13-14(7-12)18-10(3)17-13/h5-7,9H,8H2,1-4H3,(H,17,18)
InChIKeyQKUGKMNIEXMENF-UHFFFAOYSA-N
XLogP2.61
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-yl-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

N,2-dimethyl-3H-benzimidazole-5-carbohydrazide
CID 116845661
2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
CID 82493358
2-chloro-N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 100787847
N,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 56884558
2,2-dibromo-1-(2-methyl-3H-benzimidazol-5-yl)ethanone
CID 116827124
3-cyclopentyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide
CID 176507155
4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one
CID 116916248
1-(2-methyl-3H-benzimidazol-5-yl)butan-1-one
CID 39104462
N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 70877342
2-methyl-N-propyl-3H-benzimidazole-5-carboxamide
CID 594617
N-(furan-3-ylmethyl)-2-methyl-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide
CID 3511654
3-chloro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-nitrobenzamide
CID 86796190

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-yl-3H-benzimidazole-5-carboxamide (CID 56753280) is 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-yl-3H-benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)N(Cc3noc(C)n3)C(C)C)cc2[nH]1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is QKUGKMNIEXMENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-9(2)21(8-15-19-11(4)23-20-15)16(22)12-5-6-13-14(7-12)18-10(3)17-13/h5-7,9H,8H2,1-4H3,(H,17,18).
What are the key properties of 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-yl-3H-benzimidazole-5-carboxamide?
2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 56753280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).