2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide

C13H18N4O — CID 110460891

IUPAC2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)N)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H18N4O/c1-8(15-12(18)13(2,3)14)11-16-9-6-4-5-7-10(9)17-11/h4-8H,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyCEVBILWOONGBQO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.48
Rot. Bonds3

About 2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide

2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide (PubChem CID 110460891) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
PubChem CID110460891
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)N)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H18N4O/c1-8(15-12(18)13(2,3)14)11-16-9-6-4-5-7-10(9)17-11/h4-8H,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyCEVBILWOONGBQO-UHFFFAOYSA-N
XLogP1.48
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
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propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate
CID 62668799
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide
CID 60509484
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide
CID 115532400
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 18270178
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide
CID 60620350

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide (CID 110460891) is 2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide is CC(NC(=O)C(C)(C)N)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide?
The InChIKey is CEVBILWOONGBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8(15-12(18)13(2,3)14)11-16-9-6-4-5-7-10(9)17-11/h4-8H,14H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide?
2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 110460891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).