(4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide

C17H24N4O — CID 126453026

IUPAC(4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide
SMILESC[C@H](CCC(=O)NCc1ccc2nc[nH]c2c1)N1CCCC1
InChIInChI=1S/C17H24N4O/c1-13(21-8-2-3-9-21)4-7-17(22)18-11-14-5-6-15-16(10-14)20-12-19-15/h5-6,10,12-13H,2-4,7-9,11H2,1H3,(H,18,22)(H,19,20)/t13-/m1/s1
InChIKeyYAOPFGXKXCVDBV-CYBMUJFWSA-N
MW300.41 g/mol
LogP2.44
Rot. Bonds6

About (4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide

(4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide (PubChem CID 126453026) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide.

Molecular Properties

Compound Name(4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide
PubChem CID126453026
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide
SMILESC[C@H](CCC(=O)NCc1ccc2nc[nH]c2c1)N1CCCC1
InChIInChI=1S/C17H24N4O/c1-13(21-8-2-3-9-21)4-7-17(22)18-11-14-5-6-15-16(10-14)20-12-19-15/h5-6,10,12-13H,2-4,7-9,11H2,1H3,(H,18,22)(H,19,20)/t13-/m1/s1
InChIKeyYAOPFGXKXCVDBV-CYBMUJFWSA-N
XLogP2.44
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 126435440
N-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide
CID 126451275
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
CID 110785494
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide
CID 115156392
2-amino-N-(3H-benzimidazol-5-ylmethyl)acetamide
CID 82491860
N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
CID 146094481
N-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110785482
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686
N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide
CID 110785506
(3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 126431332
N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide
CID 110791317
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide
CID 115157341

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide?
The IUPAC name of (4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide (CID 126453026) is (4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide.
What is the SMILES notation for (4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide?
The canonical SMILES for (4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide is C[C@H](CCC(=O)NCc1ccc2nc[nH]c2c1)N1CCCC1.
What is the InChIKey of (4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide?
The InChIKey is YAOPFGXKXCVDBV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13(21-8-2-3-9-21)4-7-17(22)18-11-14-5-6-15-16(10-14)20-12-19-15/h5-6,10,12-13H,2-4,7-9,11H2,1H3,(H,18,22)(H,19,20)/t13-/m1/s1.
What are the key properties of (4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide?
(4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide has a molecular weight of 300.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide is sourced from PubChem (CID 126453026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).