N,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide

C16H24N4O — CID 103917265

IUPACN,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
SMILESCNC(=O)C(C)(C)CNC(C)c1nc2ccccc2n1C
InChIInChI=1S/C16H24N4O/c1-11(18-10-16(2,3)15(21)17-4)14-19-12-8-6-7-9-13(12)20(14)5/h6-9,11,18H,10H2,1-5H3,(H,17,21)
InChIKeyQRZWNPCDBMVUQW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.00
Rot. Bonds5

About N,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide

N,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide (PubChem CID 103917265) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
PubChem CID103917265
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
SMILESCNC(=O)C(C)(C)CNC(C)c1nc2ccccc2n1C
InChIInChI=1S/C16H24N4O/c1-11(18-10-16(2,3)15(21)17-4)14-19-12-8-6-7-9-13(12)20(14)5/h6-9,11,18H,10H2,1-5H3,(H,17,21)
InChIKeyQRZWNPCDBMVUQW-UHFFFAOYSA-N
XLogP2.00
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.00
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
tert-butyl 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]acetate
CID 81455314
2-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylbutan-1-amine
CID 103911042
4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol
CID 103910844
N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433
1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea
CID 83108527
4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
CID 106840769
(2S)-2-amino-3,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide
CID 119890012
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

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide (CID 103917265) is N,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide is CNC(=O)C(C)(C)CNC(C)c1nc2ccccc2n1C.
What is the InChIKey of N,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide?
The InChIKey is QRZWNPCDBMVUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(18-10-16(2,3)15(21)17-4)14-19-12-8-6-7-9-13(12)20(14)5/h6-9,11,18H,10H2,1-5H3,(H,17,21).
What are the key properties of N,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide?
N,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide has a molecular weight of 288.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide is sourced from PubChem (CID 103917265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).