3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide

C22H26N4O — CID 119459811

IUPAC3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide
SMILESO=C(CCc1nc2ccccc2n1-c1ccccc1)NCC1CCCNC1
InChIInChI=1S/C22H26N4O/c27-22(24-16-17-7-6-14-23-15-17)13-12-21-25-19-10-4-5-11-20(19)26(21)18-8-2-1-3-9-18/h1-5,8-11,17,23H,6-7,12-16H2,(H,24,27)
InChIKeyZGXSNOVLOPPJHG-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.07
Rot. Bonds6

About 3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide

3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide (PubChem CID 119459811) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide
PubChem CID119459811
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide
SMILESO=C(CCc1nc2ccccc2n1-c1ccccc1)NCC1CCCNC1
InChIInChI=1S/C22H26N4O/c27-22(24-16-17-7-6-14-23-15-17)13-12-21-25-19-10-4-5-11-20(19)26(21)18-8-2-1-3-9-18/h1-5,8-11,17,23H,6-7,12-16H2,(H,24,27)
InChIKeyZGXSNOVLOPPJHG-UHFFFAOYSA-N
XLogP3.07
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119390648
N-(2-oxoazepan-3-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 55858033
N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78796237
1-(1,4-diazepan-1-yl)-3-(1-phenylbenzimidazol-2-yl)propan-1-one
CID 119414087
N-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 40633314
N-[2-(aminomethyl)cyclopentyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 119600528
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
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 51159495
N-[3-[[3-(1-phenylbenzimidazol-2-yl)propanoylamino]methyl]phenyl]cyclobutanecarboxamide
CID 55632069
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide?
The IUPAC name of 3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide (CID 119459811) is 3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide is O=C(CCc1nc2ccccc2n1-c1ccccc1)NCC1CCCNC1.
What is the InChIKey of 3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide?
The InChIKey is ZGXSNOVLOPPJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c27-22(24-16-17-7-6-14-23-15-17)13-12-21-25-19-10-4-5-11-20(19)26(21)18-8-2-1-3-9-18/h1-5,8-11,17,23H,6-7,12-16H2,(H,24,27).
What are the key properties of 3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide?
3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide has a molecular weight of 362.48 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide is sourced from PubChem (CID 119459811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).