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

C16H24N4O — CID 120503082

IUPAC3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
SMILESCC(C)C(NC(=O)C(C)C(C)N)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H24N4O/c1-9(2)14(20-16(21)10(3)11(4)17)15-18-12-7-5-6-8-13(12)19-15/h5-11,14H,17H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyBZLFJOXVLPMCIB-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.36
Rot. Bonds5

About 3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide

3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide (PubChem CID 120503082) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
PubChem CID120503082
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
SMILESCC(C)C(NC(=O)C(C)C(C)N)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H24N4O/c1-9(2)14(20-16(21)10(3)11(4)17)15-18-12-7-5-6-8-13(12)19-15/h5-11,14H,17H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyBZLFJOXVLPMCIB-UHFFFAOYSA-N
XLogP2.36
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 47141201
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
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
(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 41081163
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
(Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-phenylbut-2-enamide
CID 60530217
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-methoxyphenyl)acetamide
CID 8928025
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 4876620

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide (CID 120503082) is 3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide is CC(C)C(NC(=O)C(C)C(C)N)c1nc2ccccc2[nH]1.
What is the InChIKey of 3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide?
The InChIKey is BZLFJOXVLPMCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-9(2)14(20-16(21)10(3)11(4)17)15-18-12-7-5-6-8-13(12)19-15/h5-11,14H,17H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide?
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide has a molecular weight of 288.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide is sourced from PubChem (CID 120503082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).