4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride

C16H23ClN4O2 — CID 119513434

IUPAC4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
SMILESCl.O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)NCC1CCCN1
InChIInChI=1S/C16H22N4O2.ClH/c21-15(18-10-12-4-2-8-17-12)5-1-3-11-6-7-13-14(9-11)20-16(22)19-13;/h6-7,9,12,17H,1-5,8,10H2,(H,18,21)(H2,19,20,22);1H
InChIKeyPWBWHMWJAMCVFZ-UHFFFAOYSA-N
MW338.84 g/mol
LogP1.47
Rot. Bonds6

About 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride

4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride (PubChem CID 119513434) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
PubChem CID119513434
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
SMILESCl.O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)NCC1CCCN1
InChIInChI=1S/C16H22N4O2.ClH/c21-15(18-10-12-4-2-8-17-12)5-1-3-11-6-7-13-14(9-11)20-16(22)19-13;/h6-7,9,12,17H,1-5,8,10H2,(H,18,21)(H2,19,20,22);1H
InChIKeyPWBWHMWJAMCVFZ-UHFFFAOYSA-N
XLogP1.47
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839
4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514194
4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514853
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrrolidin-2-ylacetamide
CID 61370404
4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514202
3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510990
N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide
CID 116846652
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 71878303
5-[4-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one
CID 119651216
2-(2,3-dihydro-1H-inden-5-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510465
N-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride
CID 119514556

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride?
The IUPAC name of 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride (CID 119513434) is 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride?
The canonical SMILES for 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride is Cl.O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)NCC1CCCN1.
What is the InChIKey of 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride?
The InChIKey is PWBWHMWJAMCVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c21-15(18-10-12-4-2-8-17-12)5-1-3-11-6-7-13-14(9-11)20-16(22)19-13;/h6-7,9,12,17H,1-5,8,10H2,(H,18,21)(H2,19,20,22);1H.
What are the key properties of 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride?
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 1.47, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride is sourced from PubChem (CID 119513434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).