N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride

C20H32Cl2N4O — CID 119866323

IUPACN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCCn1c(CCNC(=O)CC(C)C2CCNCC2)nc2ccccc21.Cl.Cl
InChIInChI=1S/C20H30N4O.2ClH/c1-3-24-18-7-5-4-6-17(18)23-19(24)10-13-22-20(25)14-15(2)16-8-11-21-12-9-16;;/h4-7,15-16,21H,3,8-14H2,1-2H3,(H,22,25);2*1H
InChIKeyPRAOBGGNUPZIMG-UHFFFAOYSA-N
MW415.41 g/mol
LogP3.58
Rot. Bonds7

About N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119866323) has the molecular formula C20H32Cl2N4O and a molecular weight of 415.41 g/mol. Its IUPAC name is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119866323
Molecular FormulaC20H32Cl2N4O
Molecular Weight415.41 g/mol
Exact Mass414.20
IUPAC NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCCn1c(CCNC(=O)CC(C)C2CCNCC2)nc2ccccc21.Cl.Cl
InChIInChI=1S/C20H30N4O.2ClH/c1-3-24-18-7-5-4-6-17(18)23-19(24)10-13-22-20(25)14-15(2)16-8-11-21-12-9-16;;/h4-7,15-16,21H,3,8-14H2,1-2H3,(H,22,25);2*1H
InChIKeyPRAOBGGNUPZIMG-UHFFFAOYSA-N
XLogP3.58
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866331
3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119888838
(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
CID 119866308
N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722521
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119866315
N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119770793
4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866341
N-(1-ethylbenzimidazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119678519
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
N-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide
CID 119732891
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119866323) is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride is CCn1c(CCNC(=O)CC(C)C2CCNCC2)nc2ccccc21.Cl.Cl.
What is the InChIKey of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is PRAOBGGNUPZIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O.2ClH/c1-3-24-18-7-5-4-6-17(18)23-19(24)10-13-22-20(25)14-15(2)16-8-11-21-12-9-16;;/h4-7,15-16,21H,3,8-14H2,1-2H3,(H,22,25);2*1H.
What are the key properties of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 415.41 g/mol, XLogP of 3.58, 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]-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119866323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).