(2S)-2-amino-3,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide

C16H24N4O — CID 119890012

IUPAC(2S)-2-amino-3,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide
SMILESCC(NC(=O)[C@@H](N)C(C)(C)C)c1nc2ccccc2n1C
InChIInChI=1S/C16H24N4O/c1-10(18-15(21)13(17)16(2,3)4)14-19-11-8-6-7-9-12(11)20(14)5/h6-10,13H,17H2,1-5H3,(H,18,21)/t10?,13-/m1/s1
InChIKeyKRBOPJBJDJOJBI-JLOHTSLTSA-N
MW288.39 g/mol
LogP2.12
Rot. Bonds3

About (2S)-2-amino-3,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide (PubChem CID 119890012) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide
PubChem CID119890012
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide
SMILESCC(NC(=O)[C@@H](N)C(C)(C)C)c1nc2ccccc2n1C
InChIInChI=1S/C16H24N4O/c1-10(18-15(21)13(17)16(2,3)4)14-19-11-8-6-7-9-12(11)20(14)5/h6-10,13H,17H2,1-5H3,(H,18,21)/t10?,13-/m1/s1
InChIKeyKRBOPJBJDJOJBI-JLOHTSLTSA-N
XLogP2.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
2-acetyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 124608305
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 43545364
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 16966659
4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 751122
N,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 103917265
tert-butyl 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]acetate
CID 81455314
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide (CID 119890012) is (2S)-2-amino-3,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide is CC(NC(=O)[C@@H](N)C(C)(C)C)c1nc2ccccc2n1C.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide?
The InChIKey is KRBOPJBJDJOJBI-JLOHTSLTSA-N. The full InChI is InChI=1S/C16H24N4O/c1-10(18-15(21)13(17)16(2,3)4)14-19-11-8-6-7-9-12(11)20(14)5/h6-10,13H,17H2,1-5H3,(H,18,21)/t10?,13-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide has a molecular weight of 288.39 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 119890012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).