3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride

C15H24Cl2N4O — CID 119866331

IUPAC3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
SMILESCCn1c(CCNC(=O)CC(C)N)nc2ccccc21.Cl.Cl
InChIInChI=1S/C15H22N4O.2ClH/c1-3-19-13-7-5-4-6-12(13)18-14(19)8-9-17-15(20)10-11(2)16;;/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,20);2*1H
InChIKeyWDGQEVOSOSNLLM-UHFFFAOYSA-N
MW347.29 g/mol
LogP2.30
Rot. Bonds6

About 3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride

3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride (PubChem CID 119866331) has the molecular formula C15H24Cl2N4O and a molecular weight of 347.29 g/mol. Its IUPAC name is 3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
PubChem CID119866331
Molecular FormulaC15H24Cl2N4O
Molecular Weight347.29 g/mol
Exact Mass346.13
IUPAC Name3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
SMILESCCn1c(CCNC(=O)CC(C)N)nc2ccccc21.Cl.Cl
InChIInChI=1S/C15H22N4O.2ClH/c1-3-19-13-7-5-4-6-12(13)18-14(19)8-9-17-15(20)10-11(2)16;;/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,20);2*1H
InChIKeyWDGQEVOSOSNLLM-UHFFFAOYSA-N
XLogP2.30
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 52.30
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
4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866341
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119866323
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119866315
3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 119866298
7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide
CID 119866274
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119866339
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide
CID 119678530
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118761675
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride (CID 119866331) is 3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride is CCn1c(CCNC(=O)CC(C)N)nc2ccccc21.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride?
The InChIKey is WDGQEVOSOSNLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O.2ClH/c1-3-19-13-7-5-4-6-12(13)18-14(19)8-9-17-15(20)10-11(2)16;;/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,20);2*1H.
What are the key properties of 3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride?
3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride has a molecular weight of 347.29 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride is sourced from PubChem (CID 119866331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).