2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide

C13H18N4O — CID 119854033

IUPAC2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
SMILESCC(C)C(NC(=O)CN)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H18N4O/c1-8(2)12(17-11(18)7-14)13-15-9-5-3-4-6-10(9)16-13/h3-6,8,12H,7,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyNRNGNTSGMONENR-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.33
Rot. Bonds4

About 2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide

2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide (PubChem CID 119854033) 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)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
PubChem CID119854033
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
SMILESCC(C)C(NC(=O)CN)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H18N4O/c1-8(2)12(17-11(18)7-14)13-15-9-5-3-4-6-10(9)16-13/h3-6,8,12H,7,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyNRNGNTSGMONENR-UHFFFAOYSA-N
XLogP1.33
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)acetamide
CID 51158137
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 47141201
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 9120351
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 120503082
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-methoxyphenyl)acetamide
CID 8928025
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide
CID 55595818
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111331862
2-(4-anilinophenoxy)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 40716491

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide?
The IUPAC name of 2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide (CID 119854033) is 2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide is CC(C)C(NC(=O)CN)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide?
The InChIKey is NRNGNTSGMONENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8(2)12(17-11(18)7-14)13-15-9-5-3-4-6-10(9)16-13/h3-6,8,12H,7,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide?
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide has a molecular weight of 246.31 g/mol, XLogP of 1.33, 4 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)-2-methylpropyl]acetamide is sourced from PubChem (CID 119854033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).