2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide

C14H19N3O2 — CID 115187183

IUPAC2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
SMILESCc1nc2ccc(NC(=O)C(CO)C(C)C)cc2[nH]1
InChIInChI=1S/C14H19N3O2/c1-8(2)11(7-18)14(19)17-10-4-5-12-13(6-10)16-9(3)15-12/h4-6,8,11,18H,7H2,1-3H3,(H,15,16)(H,17,19)
InChIKeyUWWCBGBRZUGICT-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.07
Rot. Bonds4

About 2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide

2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide (PubChem CID 115187183) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
PubChem CID115187183
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
SMILESCc1nc2ccc(NC(=O)C(CO)C(C)C)cc2[nH]1
InChIInChI=1S/C14H19N3O2/c1-8(2)11(7-18)14(19)17-10-4-5-12-13(6-10)16-9(3)15-12/h4-6,8,11,18H,7H2,1-3H3,(H,15,16)(H,17,19)
InChIKeyUWWCBGBRZUGICT-UHFFFAOYSA-N
XLogP2.07
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 79195442
2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 103515060
(2S)-2-amino-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79024217
2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 116675730
N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337
4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79204355
2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60853212
2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60860935
3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 43700582
(2R)-N-(2-methyl-3H-benzimidazol-5-yl)-2-(2-oxopyrrolidin-1-yl)propanamide
CID 92604255
N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569
4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 115156908

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide?
The IUPAC name of 2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide (CID 115187183) is 2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide.
What is the SMILES notation for 2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide?
The canonical SMILES for 2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide is Cc1nc2ccc(NC(=O)C(CO)C(C)C)cc2[nH]1.
What is the InChIKey of 2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide?
The InChIKey is UWWCBGBRZUGICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8(2)11(7-18)14(19)17-10-4-5-12-13(6-10)16-9(3)15-12/h4-6,8,11,18H,7H2,1-3H3,(H,15,16)(H,17,19).
What are the key properties of 2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide?
2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide has a molecular weight of 261.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide is sourced from PubChem (CID 115187183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).