2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide

C16H22N4O — CID 126452336

IUPAC2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide
SMILESCCCN1CC[C@@H](NC(=O)Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C16H22N4O/c1-2-8-20-9-7-12(11-20)17-16(21)10-15-18-13-5-3-4-6-14(13)19-15/h3-6,12H,2,7-11H2,1H3,(H,17,21)(H,18,19)/t12-/m1/s1
InChIKeyXSGYYJAUOUIHKO-GFCCVEGCSA-N
MW286.38 g/mol
LogP1.71
Rot. Bonds5

About 2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide

2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide (PubChem CID 126452336) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide
PubChem CID126452336
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide
SMILESCCCN1CC[C@@H](NC(=O)Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C16H22N4O/c1-2-8-20-9-7-12(11-20)17-16(21)10-15-18-13-5-3-4-6-14(13)19-15/h3-6,12H,2,7-11H2,1H3,(H,17,21)(H,18,19)/t12-/m1/s1
InChIKeyXSGYYJAUOUIHKO-GFCCVEGCSA-N
XLogP1.71
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-benzimidazol-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 46456209
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]urea
CID 56793699
2-(1H-benzimidazol-2-yl)-N-butylacetamide
CID 3852846
2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole
CID 22989602
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 112822452
2-(1H-benzimidazol-2-yl)-N-pentylacetamide
CID 67833301
N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(cyclohexylcarbamoylamino)butanamide
CID 86813158
N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2-(methanesulfonamido)benzamide
CID 86777811
2-(1-propylazetidin-3-yl)-1H-benzimidazole
CID 141153066
N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine
CID 67906630
3-(1H-benzimidazol-2-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43393264
1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol
CID 104926835

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide (CID 126452336) is 2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide is CCCN1CC[C@@H](NC(=O)Cc2nc3ccccc3[nH]2)C1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide?
The InChIKey is XSGYYJAUOUIHKO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-8-20-9-7-12(11-20)17-16(21)10-15-18-13-5-3-4-6-14(13)19-15/h3-6,12H,2,7-11H2,1H3,(H,17,21)(H,18,19)/t12-/m1/s1.
What are the key properties of 2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide?
2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 126452336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).