N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride

C20H25ClN4O — CID 119504582

IUPACN-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
SMILESCCNCCNC(=O)CCc1nc2ccccc2n1-c1ccccc1.Cl
InChIInChI=1S/C20H24N4O.ClH/c1-2-21-14-15-22-20(25)13-12-19-23-17-10-6-7-11-18(17)24(19)16-8-4-3-5-9-16;/h3-11,21H,2,12-15H2,1H3,(H,22,25);1H
InChIKeyNMTNOQCQSSSLMY-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.11
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride

N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride (PubChem CID 119504582) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
PubChem CID119504582
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC NameN-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
SMILESCCNCCNC(=O)CCc1nc2ccccc2n1-c1ccccc1.Cl
InChIInChI=1S/C20H24N4O.ClH/c1-2-21-14-15-22-20(25)13-12-19-23-17-10-6-7-11-18(17)24(19)16-8-4-3-5-9-16;/h3-11,21H,2,12-15H2,1H3,(H,22,25);1H
InChIKeyNMTNOQCQSSSLMY-UHFFFAOYSA-N
XLogP3.11
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119494794
N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78796237
N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 51159495
3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119390648
N-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 86975702
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 55674528
3-[3-(1-phenylbenzimidazol-2-yl)propanoylamino]butanoic acid
CID 119221124
N-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 60508285
N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 52894225
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78777422
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 112794338
N-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 40633314

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride (CID 119504582) is N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride is CCNCCNC(=O)CCc1nc2ccccc2n1-c1ccccc1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride?
The InChIKey is NMTNOQCQSSSLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.ClH/c1-2-21-14-15-22-20(25)13-12-19-23-17-10-6-7-11-18(17)24(19)16-8-4-3-5-9-16;/h3-11,21H,2,12-15H2,1H3,(H,22,25);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride?
N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119504582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).