3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride

C23H30ClN5O — CID 119390648

IUPAC3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCl.O=C(CCc1nc2ccccc2n1-c1ccccc1)NCCCN1CCNCC1
InChIInChI=1S/C23H29N5O.ClH/c29-23(25-13-6-16-27-17-14-24-15-18-27)12-11-22-26-20-9-4-5-10-21(20)28(22)19-7-2-1-3-8-19;/h1-5,7-10,24H,6,11-18H2,(H,25,29);1H
InChIKeyUKVOSRKYTKEWBE-UHFFFAOYSA-N
MW427.98 g/mol
LogP2.79
Rot. Bonds8

About 3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride

3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride (PubChem CID 119390648) has the molecular formula C23H30ClN5O and a molecular weight of 427.98 g/mol. Its IUPAC name is 3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
PubChem CID119390648
Molecular FormulaC23H30ClN5O
Molecular Weight427.98 g/mol
Exact Mass427.21
IUPAC Name3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCl.O=C(CCc1nc2ccccc2n1-c1ccccc1)NCCCN1CCNCC1
InChIInChI=1S/C23H29N5O.ClH/c29-23(25-13-6-16-27-17-14-24-15-18-27)12-11-22-26-20-9-4-5-10-21(20)28(22)19-7-2-1-3-8-19;/h1-5,7-10,24H,6,11-18H2,(H,25,29);1H
InChIKeyUKVOSRKYTKEWBE-UHFFFAOYSA-N
XLogP2.79
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78796237
N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 51159495
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78777422
N-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 86975702
N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119504582
N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119494794
1-(1,4-diazepan-1-yl)-3-(1-phenylbenzimidazol-2-yl)propan-1-one
CID 119414087
3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide
CID 119459811
2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392643
4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394229
3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride
CID 119391777
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 55674528

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The IUPAC name of 3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride (CID 119390648) is 3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The canonical SMILES for 3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride is Cl.O=C(CCc1nc2ccccc2n1-c1ccccc1)NCCCN1CCNCC1.
What is the InChIKey of 3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The InChIKey is UKVOSRKYTKEWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O.ClH/c29-23(25-13-6-16-27-17-14-24-15-18-27)12-11-22-26-20-9-4-5-10-21(20)28(22)19-7-2-1-3-8-19;/h1-5,7-10,24H,6,11-18H2,(H,25,29);1H.
What are the key properties of 3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride has a molecular weight of 427.98 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 119390648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).