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

C13H18N4O — CID 79195442

IUPAC2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
SMILESCNCC(C)C(=O)Nc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C13H18N4O/c1-8(7-14-3)13(18)17-10-4-5-11-12(6-10)16-9(2)15-11/h4-6,8,14H,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyDNHCDXCDXXWECJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.67
Rot. Bonds4

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

2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide (PubChem CID 79195442) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
PubChem CID79195442
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
SMILESCNCC(C)C(=O)Nc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C13H18N4O/c1-8(7-14-3)13(18)17-10-4-5-11-12(6-10)16-9(2)15-11/h4-6,8,14H,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyDNHCDXCDXXWECJ-UHFFFAOYSA-N
XLogP1.67
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

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CID 103515060
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2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
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2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60853212
2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
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3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
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2-methyl-3-(methylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
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(2R)-N-(2-methyl-3H-benzimidazol-5-yl)-2-(2-oxopyrrolidin-1-yl)propanamide
CID 92604255
4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
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N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide (CID 79195442) is 2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide is CNCC(C)C(=O)Nc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide?
The InChIKey is DNHCDXCDXXWECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8(7-14-3)13(18)17-10-4-5-11-12(6-10)16-9(2)15-11/h4-6,8,14H,7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide?
2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide has a molecular weight of 246.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide is sourced from PubChem (CID 79195442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).