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

C15H22N4O — CID 62639166

IUPACN-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C15H22N4O/c1-9(16-5)13(20)17-10-6-7-11-12(8-10)19-14(18-11)15(2,3)4/h6-9,16H,1-5H3,(H,17,20)(H,18,19)
InChIKeyNXVVIXUQYKXPBY-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.41
Rot. Bonds3

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

N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(methylamino)propanamide (PubChem CID 62639166) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(methylamino)propanamide
PubChem CID62639166
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C15H22N4O/c1-9(16-5)13(20)17-10-6-7-11-12(8-10)19-14(18-11)15(2,3)4/h6-9,16H,1-5H3,(H,17,20)(H,18,19)
InChIKeyNXVVIXUQYKXPBY-UHFFFAOYSA-N
XLogP2.41
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 53368058
N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-chloropropanamide
CID 61251536
cis-(1R,2S)-N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-methylcyclopropane-1-carboxamide
CID 39693129
2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine
CID 155399354
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide
CID 61274236
N-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide
CID 84581968
2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 79195442
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 39951309
2-[(4-bromophenyl)methylcarbamoylamino]-N-(2-tert-butyl-3H-benzimidazol-5-yl)pentanamide
CID 166391911
2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
CID 28714219
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 39693495
2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 103515060

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(methylamino)propanamide?
The IUPAC name of N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(methylamino)propanamide (CID 62639166) is N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(methylamino)propanamide.
What is the SMILES notation for N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(methylamino)propanamide?
The canonical SMILES for N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(methylamino)propanamide is CNC(C)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1.
What is the InChIKey of N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(methylamino)propanamide?
The InChIKey is NXVVIXUQYKXPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-9(16-5)13(20)17-10-6-7-11-12(8-10)19-14(18-11)15(2,3)4/h6-9,16H,1-5H3,(H,17,20)(H,18,19).
What are the key properties of N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(methylamino)propanamide?
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(methylamino)propanamide has a molecular weight of 274.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(methylamino)propanamide is sourced from PubChem (CID 62639166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).