5-[(2S)-1-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide

C21H22N4O2S — CID 30956704

IUPAC5-[(2S)-1-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc([C@@H]2CCCN2C(=O)Cn2c(C3CC3)nc3ccccc32)s1
InChIInChI=1S/C21H22N4O2S/c22-20(27)18-10-9-17(28-18)16-6-3-11-24(16)19(26)12-25-15-5-2-1-4-14(15)23-21(25)13-7-8-13/h1-2,4-5,9-10,13,16H,3,6-8,11-12H2,(H2,22,27)/t16-/m0/s1
InChIKeyBWZANXFRUHNZMS-INIZCTEOSA-N
MW394.50 g/mol
LogP3.44
Rot. Bonds5

About 5-[(2S)-1-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide

5-[(2S)-1-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 30956704) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 5-[(2S)-1-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2S)-1-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID30956704
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name5-[(2S)-1-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc([C@@H]2CCCN2C(=O)Cn2c(C3CC3)nc3ccccc32)s1
InChIInChI=1S/C21H22N4O2S/c22-20(27)18-10-9-17(28-18)16-6-3-11-24(16)19(26)12-25-15-5-2-1-4-14(15)23-21(25)13-7-8-13/h1-2,4-5,9-10,13,16H,3,6-8,11-12H2,(H2,22,27)/t16-/m0/s1
InChIKeyBWZANXFRUHNZMS-INIZCTEOSA-N
XLogP3.44
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyclopropylbenzimidazol-1-yl)-1-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 118786881
2-(2-cyclopropylbenzimidazol-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16996738
5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 30937109
1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
CID 16996658
2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 16996660
2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 26864495
2-(2-cyclopropylbenzimidazol-1-yl)-1-[(3R)-3-ethoxypiperidin-1-yl]ethanone
CID 95283403
1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 41137647
1-[(2S)-2-(1-pentylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92721055
1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17002359
2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide
CID 17028756
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 42536555

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[(2S)-1-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide (CID 30956704) is 5-[(2S)-1-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[(2S)-1-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[(2S)-1-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide is NC(=O)c1ccc([C@@H]2CCCN2C(=O)Cn2c(C3CC3)nc3ccccc32)s1.
What is the InChIKey of 5-[(2S)-1-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is BWZANXFRUHNZMS-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22N4O2S/c22-20(27)18-10-9-17(28-18)16-6-3-11-24(16)19(26)12-25-15-5-2-1-4-14(15)23-21(25)13-7-8-13/h1-2,4-5,9-10,13,16H,3,6-8,11-12H2,(H2,22,27)/t16-/m0/s1.
What are the key properties of 5-[(2S)-1-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
5-[(2S)-1-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 30956704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).