3-[2-(2-propylbenzimidazol-1-yl)butanoylamino]cyclobutane-1-carboxylic acid

C19H25N3O3 — CID 119062330

IUPAC3-[2-(2-propylbenzimidazol-1-yl)butanoylamino]cyclobutane-1-carboxylic acid
SMILESCCCc1nc2ccccc2n1C(CC)C(=O)NC1CC(C(=O)O)C1
InChIInChI=1S/C19H25N3O3/c1-3-7-17-21-14-8-5-6-9-16(14)22(17)15(4-2)18(23)20-13-10-12(11-13)19(24)25/h5-6,8-9,12-13,15H,3-4,7,10-11H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyNUHBEXUTALGWNP-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.92
Rot. Bonds7

About 3-[2-(2-propylbenzimidazol-1-yl)butanoylamino]cyclobutane-1-carboxylic acid

3-[2-(2-propylbenzimidazol-1-yl)butanoylamino]cyclobutane-1-carboxylic acid (PubChem CID 119062330) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[2-(2-propylbenzimidazol-1-yl)butanoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-propylbenzimidazol-1-yl)butanoylamino]cyclobutane-1-carboxylic acid
PubChem CID119062330
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-[2-(2-propylbenzimidazol-1-yl)butanoylamino]cyclobutane-1-carboxylic acid
SMILESCCCc1nc2ccccc2n1C(CC)C(=O)NC1CC(C(=O)O)C1
InChIInChI=1S/C19H25N3O3/c1-3-7-17-21-14-8-5-6-9-16(14)22(17)15(4-2)18(23)20-13-10-12(11-13)19(24)25/h5-6,8-9,12-13,15H,3-4,7,10-11H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyNUHBEXUTALGWNP-UHFFFAOYSA-N
XLogP2.92
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-propylbenzimidazol-1-yl)butanoate
CID 115970669
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
N-cyclopentyl-2-(2-cyclopropylbenzimidazol-1-yl)butanamide
CID 53383203
2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid
CID 112632122
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide
CID 42810626
8-[(2R)-2-(2-propylbenzimidazol-1-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 126427996
(2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 93301248
(2S)-2-(2-ethylbenzimidazol-1-yl)-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]butanamide
CID 136804352
N-ethyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632434
N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632401
2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 75530812
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)butanamide
CID 72875268

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-propylbenzimidazol-1-yl)butanoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[2-(2-propylbenzimidazol-1-yl)butanoylamino]cyclobutane-1-carboxylic acid (CID 119062330) is 3-[2-(2-propylbenzimidazol-1-yl)butanoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[2-(2-propylbenzimidazol-1-yl)butanoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[2-(2-propylbenzimidazol-1-yl)butanoylamino]cyclobutane-1-carboxylic acid is CCCc1nc2ccccc2n1C(CC)C(=O)NC1CC(C(=O)O)C1.
What is the InChIKey of 3-[2-(2-propylbenzimidazol-1-yl)butanoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is NUHBEXUTALGWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-7-17-21-14-8-5-6-9-16(14)22(17)15(4-2)18(23)20-13-10-12(11-13)19(24)25/h5-6,8-9,12-13,15H,3-4,7,10-11H2,1-2H3,(H,20,23)(H,24,25).
What are the key properties of 3-[2-(2-propylbenzimidazol-1-yl)butanoylamino]cyclobutane-1-carboxylic acid?
3-[2-(2-propylbenzimidazol-1-yl)butanoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 343.43 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-propylbenzimidazol-1-yl)butanoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 119062330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).