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

C15H24Cl2N4O — CID 119866341

IUPAC4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
SMILESCCn1c(CCNC(=O)CCCN)nc2ccccc21.Cl.Cl
InChIInChI=1S/C15H22N4O.2ClH/c1-2-19-13-7-4-3-6-12(13)18-14(19)9-11-17-15(20)8-5-10-16;;/h3-4,6-7H,2,5,8-11,16H2,1H3,(H,17,20);2*1H
InChIKeyTXAHEXWFOKYREQ-UHFFFAOYSA-N
MW347.29 g/mol
LogP2.30
Rot. Bonds7

About 4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride

4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride (PubChem CID 119866341) has the molecular formula C15H24Cl2N4O and a molecular weight of 347.29 g/mol. Its IUPAC name is 4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
PubChem CID119866341
Molecular FormulaC15H24Cl2N4O
Molecular Weight347.29 g/mol
Exact Mass346.13
IUPAC Name4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
SMILESCCn1c(CCNC(=O)CCCN)nc2ccccc21.Cl.Cl
InChIInChI=1S/C15H22N4O.2ClH/c1-2-19-13-7-4-3-6-12(13)18-14(19)9-11-17-15(20)8-5-10-16;;/h3-4,6-7H,2,5,8-11,16H2,1H3,(H,17,20);2*1H
InChIKeyTXAHEXWFOKYREQ-UHFFFAOYSA-N
XLogP2.30
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide
CID 119866274
3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866331
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118761675
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
CID 119866308
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
2-(2-aminoethyl)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120645501
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119866315
N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986696
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide
CID 16985019
N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974420

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride (CID 119866341) is 4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride is CCn1c(CCNC(=O)CCCN)nc2ccccc21.Cl.Cl.
What is the InChIKey of 4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride?
The InChIKey is TXAHEXWFOKYREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O.2ClH/c1-2-19-13-7-4-3-6-12(13)18-14(19)9-11-17-15(20)8-5-10-16;;/h3-4,6-7H,2,5,8-11,16H2,1H3,(H,17,20);2*1H.
What are the key properties of 4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride?
4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride has a molecular weight of 347.29 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride is sourced from PubChem (CID 119866341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).