N-[2-(hydroxymethyl)-3-methylbutyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide

C16H23N3O2 — CID 131929944

IUPACN-[2-(hydroxymethyl)-3-methylbutyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCc1nc2ccc(CC(=O)NCC(CO)C(C)C)cc2[nH]1
InChIInChI=1S/C16H23N3O2/c1-10(2)13(9-20)8-17-16(21)7-12-4-5-14-15(6-12)19-11(3)18-14/h4-6,10,13,20H,7-9H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyMPSZTKOXRAJLIL-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.79
Rot. Bonds6

About N-[2-(hydroxymethyl)-3-methylbutyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide

N-[2-(hydroxymethyl)-3-methylbutyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide (PubChem CID 131929944) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-methylbutyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-methylbutyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
PubChem CID131929944
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-(hydroxymethyl)-3-methylbutyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCc1nc2ccc(CC(=O)NCC(CO)C(C)C)cc2[nH]1
InChIInChI=1S/C16H23N3O2/c1-10(2)13(9-20)8-17-16(21)7-12-4-5-14-15(6-12)19-11(3)18-14/h4-6,10,13,20H,7-9H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyMPSZTKOXRAJLIL-UHFFFAOYSA-N
XLogP1.79
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid
CID 82498408
N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
CID 116847491
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785613
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791481
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 74246041
2-(2-methyl-3H-benzimidazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110772690
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791451
(2S)-2-amino-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid
CID 96583220
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167417
2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791460

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-methylbutyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-methylbutyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide (CID 131929944) is N-[2-(hydroxymethyl)-3-methylbutyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-methylbutyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-methylbutyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide is Cc1nc2ccc(CC(=O)NCC(CO)C(C)C)cc2[nH]1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-methylbutyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is MPSZTKOXRAJLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)13(9-20)8-17-16(21)7-12-4-5-14-15(6-12)19-11(3)18-14/h4-6,10,13,20H,7-9H2,1-3H3,(H,17,21)(H,18,19).
What are the key properties of N-[2-(hydroxymethyl)-3-methylbutyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
N-[2-(hydroxymethyl)-3-methylbutyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-methylbutyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 131929944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).