N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

C16H26Cl2N4O — CID 119866315

IUPACN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCCn1c(CCNC(=O)C(C)CNC)nc2ccccc21.Cl.Cl
InChIInChI=1S/C16H24N4O.2ClH/c1-4-20-14-8-6-5-7-13(14)19-15(20)9-10-18-16(21)12(2)11-17-3;;/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,21);2*1H
InChIKeyUXICVLOXWDGWCC-UHFFFAOYSA-N
MW361.32 g/mol
LogP2.41
Rot. Bonds7

About N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (PubChem CID 119866315) has the molecular formula C16H26Cl2N4O and a molecular weight of 361.32 g/mol. Its IUPAC name is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
PubChem CID119866315
Molecular FormulaC16H26Cl2N4O
Molecular Weight361.32 g/mol
Exact Mass360.15
IUPAC NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCCn1c(CCNC(=O)C(C)CNC)nc2ccccc21.Cl.Cl
InChIInChI=1S/C16H24N4O.2ClH/c1-4-20-14-8-6-5-7-13(14)19-15(20)9-10-18-16(21)12(2)11-17-3;;/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,21);2*1H
InChIKeyUXICVLOXWDGWCC-UHFFFAOYSA-N
XLogP2.41
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
CID 119866308
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131940714
1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one
CID 116587001
3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866331
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 119866298
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119866240
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 79750930
4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866341
2-ethyl-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974700

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (CID 119866315) is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The canonical SMILES for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is CCn1c(CCNC(=O)C(C)CNC)nc2ccccc21.Cl.Cl.
What is the InChIKey of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The InChIKey is UXICVLOXWDGWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.2ClH/c1-4-20-14-8-6-5-7-13(14)19-15(20)9-10-18-16(21)12(2)11-17-3;;/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,21);2*1H.
What are the key properties of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride has a molecular weight of 361.32 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119866315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).