3-(1-phenylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide

C26H28N4OS — CID 112765124

IUPAC3-(1-phenylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCc1nc2ccccc2n1-c1ccccc1)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C26H28N4OS/c31-26(27-19-23(24-13-8-18-32-24)29-16-6-7-17-29)15-14-25-28-21-11-4-5-12-22(21)30(25)20-9-2-1-3-10-20/h1-5,8-13,18,23H,6-7,14-17,19H2,(H,27,31)
InChIKeyCPQRFOHTHLCJNJ-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.97
Rot. Bonds8

About 3-(1-phenylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide

3-(1-phenylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide (PubChem CID 112765124) has the molecular formula C26H28N4OS and a molecular weight of 444.60 g/mol. Its IUPAC name is 3-(1-phenylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(1-phenylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide
PubChem CID112765124
Molecular FormulaC26H28N4OS
Molecular Weight444.60 g/mol
Exact Mass444.20
IUPAC Name3-(1-phenylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCc1nc2ccccc2n1-c1ccccc1)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C26H28N4OS/c31-26(27-19-23(24-13-8-18-32-24)29-16-6-7-17-29)15-14-25-28-21-11-4-5-12-22(21)30(25)20-9-2-1-3-10-20/h1-5,8-13,18,23H,6-7,14-17,19H2,(H,27,31)
InChIKeyCPQRFOHTHLCJNJ-UHFFFAOYSA-N
XLogP4.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 112794338
2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540
N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78796237
2-methylsulfanyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 134057480
2-phenoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 34949998
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide
CID 46438075
N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119494794
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-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119504582
2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 78822033
3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide
CID 119459811

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-(1-phenylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide (CID 112765124) is 3-(1-phenylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-(1-phenylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-(1-phenylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide is O=C(CCc1nc2ccccc2n1-c1ccccc1)NCC(c1cccs1)N1CCCC1.
What is the InChIKey of 3-(1-phenylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide?
The InChIKey is CPQRFOHTHLCJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4OS/c31-26(27-19-23(24-13-8-18-32-24)29-16-6-7-17-29)15-14-25-28-21-11-4-5-12-22(21)30(25)20-9-2-1-3-10-20/h1-5,8-13,18,23H,6-7,14-17,19H2,(H,27,31).
What are the key properties of 3-(1-phenylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide?
3-(1-phenylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide has a molecular weight of 444.60 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 112765124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).