N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide

C26H26N4O2S — CID 55966656

IUPACN-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1cccc(C(=O)N2CCCC2c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C26H26N4O2S/c31-24(14-4-9-20-10-6-16-33-20)27-19-8-3-7-18(17-19)26(32)30-15-5-13-23(30)25-28-21-11-1-2-12-22(21)29-25/h1-3,6-8,10-12,16-17,23H,4-5,9,13-15H2,(H,27,31)(H,28,29)
InChIKeyCNKWVUYZOLKMAB-UHFFFAOYSA-N
MW458.59 g/mol
LogP5.56
Rot. Bonds7

About N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide

N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide (PubChem CID 55966656) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
PubChem CID55966656
Molecular FormulaC26H26N4O2S
Molecular Weight458.59 g/mol
Exact Mass458.18
IUPAC NameN-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1cccc(C(=O)N2CCCC2c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C26H26N4O2S/c31-24(14-4-9-20-10-6-16-33-20)27-19-8-3-7-18(17-19)26(32)30-15-5-13-23(30)25-28-21-11-1-2-12-22(21)29-25/h1-3,6-8,10-12,16-17,23H,4-5,9,13-15H2,(H,27,31)(H,28,29)
InChIKeyCNKWVUYZOLKMAB-UHFFFAOYSA-N
XLogP5.56
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.59
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 51269960
4-thiophen-2-yl-N-[3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]butanamide
CID 55961487
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 51269941
N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide
CID 56551130
N-[3-(4-aminopiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119376176
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 119486542
1-[3-(4-thiophen-2-ylbutanoylamino)benzoyl]pyrrolidine-3-carboxylic acid
CID 119355077
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993592
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 51270082
N-[3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55966949
N-[4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 94166760

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide (CID 55966656) is N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)Nc1cccc(C(=O)N2CCCC2c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide?
The InChIKey is CNKWVUYZOLKMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2S/c31-24(14-4-9-20-10-6-16-33-20)27-19-8-3-7-18(17-19)26(32)30-15-5-13-23(30)25-28-21-11-1-2-12-22(21)29-25/h1-3,6-8,10-12,16-17,23H,4-5,9,13-15H2,(H,27,31)(H,28,29).
What are the key properties of N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide?
N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide has a molecular weight of 458.59 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 55966656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).