2-(5-amino-2-methylbenzimidazol-1-yl)-N-propan-2-ylacetamide

C13H18N4O — CID 62506711

IUPAC2-(5-amino-2-methylbenzimidazol-1-yl)-N-propan-2-ylacetamide
SMILESCc1nc2cc(N)ccc2n1CC(=O)NC(C)C
InChIInChI=1S/C13H18N4O/c1-8(2)15-13(18)7-17-9(3)16-11-6-10(14)4-5-12(11)17/h4-6,8H,7,14H2,1-3H3,(H,15,18)
InChIKeyMTLZTHJYTAATSR-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.45
Rot. Bonds3

About 2-(5-amino-2-methylbenzimidazol-1-yl)-N-propan-2-ylacetamide

2-(5-amino-2-methylbenzimidazol-1-yl)-N-propan-2-ylacetamide (PubChem CID 62506711) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(5-amino-2-methylbenzimidazol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-methylbenzimidazol-1-yl)-N-propan-2-ylacetamide
PubChem CID62506711
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-(5-amino-2-methylbenzimidazol-1-yl)-N-propan-2-ylacetamide
SMILESCc1nc2cc(N)ccc2n1CC(=O)NC(C)C
InChIInChI=1S/C13H18N4O/c1-8(2)15-13(18)7-17-9(3)16-11-6-10(14)4-5-12(11)17/h4-6,8H,7,14H2,1-3H3,(H,15,18)
InChIKeyMTLZTHJYTAATSR-UHFFFAOYSA-N
XLogP1.45
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028520
2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine
CID 114101961
6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol
CID 107849624
N-(1-amino-4-methylpentan-2-yl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 119587115
2-(2-methylbenzimidazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7755575
2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 43667741
2-(2-phenylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17032674
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17029919
N-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide
CID 62507368
N-(2-amino-1-cyclopropylethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 119615273
methyl 3-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]propanoate
CID 55091800
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755480

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylbenzimidazol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-amino-2-methylbenzimidazol-1-yl)-N-propan-2-ylacetamide (CID 62506711) is 2-(5-amino-2-methylbenzimidazol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-amino-2-methylbenzimidazol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-amino-2-methylbenzimidazol-1-yl)-N-propan-2-ylacetamide is Cc1nc2cc(N)ccc2n1CC(=O)NC(C)C.
What is the InChIKey of 2-(5-amino-2-methylbenzimidazol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is MTLZTHJYTAATSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8(2)15-13(18)7-17-9(3)16-11-6-10(14)4-5-12(11)17/h4-6,8H,7,14H2,1-3H3,(H,15,18).
What are the key properties of 2-(5-amino-2-methylbenzimidazol-1-yl)-N-propan-2-ylacetamide?
2-(5-amino-2-methylbenzimidazol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 246.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methylbenzimidazol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 62506711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).