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

C20H26Cl2N4O — CID 119953447

IUPAC3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide;dihydrochloride
SMILESCCn1c(C(C)NC(=O)CC(N)c2ccccc2)nc2ccccc21.Cl.Cl
InChIInChI=1S/C20H24N4O.2ClH/c1-3-24-18-12-8-7-11-17(18)23-20(24)14(2)22-19(25)13-16(21)15-9-5-4-6-10-15;;/h4-12,14,16H,3,13,21H2,1-2H3,(H,22,25);2*1H
InChIKeyBBWXIHZGHBYYQN-UHFFFAOYSA-N
MW409.36 g/mol
LogP4.17
Rot. Bonds6

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

3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119953447) has the molecular formula C20H26Cl2N4O and a molecular weight of 409.36 g/mol. Its IUPAC name is 3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119953447
Molecular FormulaC20H26Cl2N4O
Molecular Weight409.36 g/mol
Exact Mass408.15
IUPAC Name3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide;dihydrochloride
SMILESCCn1c(C(C)NC(=O)CC(N)c2ccccc2)nc2ccccc21.Cl.Cl
InChIInChI=1S/C20H24N4O.2ClH/c1-3-24-18-12-8-7-11-17(18)23-20(24)14(2)22-19(25)13-16(21)15-9-5-4-6-10-15;;/h4-12,14,16H,3,13,21H2,1-2H3,(H,22,25);2*1H
InChIKeyBBWXIHZGHBYYQN-UHFFFAOYSA-N
XLogP4.17
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 120565069
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 60597479
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953214
1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119866200
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 95234003
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119866240
N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 7025686
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide
CID 43706336
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17029919

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide;dihydrochloride (CID 119953447) is 3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide;dihydrochloride is CCn1c(C(C)NC(=O)CC(N)c2ccccc2)nc2ccccc21.Cl.Cl.
What is the InChIKey of 3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is BBWXIHZGHBYYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.2ClH/c1-3-24-18-12-8-7-11-17(18)23-20(24)14(2)22-19(25)13-16(21)15-9-5-4-6-10-15;;/h4-12,14,16H,3,13,21H2,1-2H3,(H,22,25);2*1H.
What are the key properties of 3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide;dihydrochloride?
3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 409.36 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119953447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).