N-(1-amino-4-methylpentan-2-yl)-2-(2-methylbenzimidazol-1-yl)acetamide

C16H24N4O — CID 119587115

IUPACN-(1-amino-4-methylpentan-2-yl)-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)NC(CN)CC(C)C
InChIInChI=1S/C16H24N4O/c1-11(2)8-13(9-17)19-16(21)10-20-12(3)18-14-6-4-5-7-15(14)20/h4-7,11,13H,8-10,17H2,1-3H3,(H,19,21)
InChIKeyBMINZHUKNSYZSH-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.83
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-2-(2-methylbenzimidazol-1-yl)acetamide

N-(1-amino-4-methylpentan-2-yl)-2-(2-methylbenzimidazol-1-yl)acetamide (PubChem CID 119587115) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-(2-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-(2-methylbenzimidazol-1-yl)acetamide
PubChem CID119587115
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)NC(CN)CC(C)C
InChIInChI=1S/C16H24N4O/c1-11(2)8-13(9-17)19-16(21)10-20-12(3)18-14-6-4-5-7-15(14)20/h4-7,11,13H,8-10,17H2,1-3H3,(H,19,21)
InChIKeyBMINZHUKNSYZSH-UHFFFAOYSA-N
XLogP1.83
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 119586379
N-(2-amino-1-cyclopropylethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 119615273
2-(2-methylbenzimidazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7755575
2-(2-methylbenzimidazol-1-yl)-N-(2-methylpropylcarbamoyl)acetamide
CID 7755635
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755480
(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 61274419
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203
[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]thiourea
CID 42631308
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 65229175
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
N-(1-amino-4-methylpentan-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 119587577

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(2-methylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(2-methylbenzimidazol-1-yl)acetamide (CID 119587115) is N-(1-amino-4-methylpentan-2-yl)-2-(2-methylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-(2-methylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-(2-methylbenzimidazol-1-yl)acetamide is Cc1nc2ccccc2n1CC(=O)NC(CN)CC(C)C.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-(2-methylbenzimidazol-1-yl)acetamide?
The InChIKey is BMINZHUKNSYZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(2)8-13(9-17)19-16(21)10-20-12(3)18-14-6-4-5-7-15(14)20/h4-7,11,13H,8-10,17H2,1-3H3,(H,19,21).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-(2-methylbenzimidazol-1-yl)acetamide?
N-(1-amino-4-methylpentan-2-yl)-2-(2-methylbenzimidazol-1-yl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-(2-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 119587115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).