3-amino-N-(2-cyclobutyl-3H-benzimidazol-5-yl)butanamide;dihydrochloride

C15H22Cl2N4O — CID 119872008

IUPAC3-amino-N-(2-cyclobutyl-3H-benzimidazol-5-yl)butanamide;dihydrochloride
SMILESCC(N)CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1.Cl.Cl
InChIInChI=1S/C15H20N4O.2ClH/c1-9(16)7-14(20)17-11-5-6-12-13(8-11)19-15(18-12)10-3-2-4-10;;/h5-6,8-10H,2-4,7,16H2,1H3,(H,17,20)(H,18,19);2*1H
InChIKeyHOEYRPVYGIDRIN-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.35
Rot. Bonds4

About 3-amino-N-(2-cyclobutyl-3H-benzimidazol-5-yl)butanamide;dihydrochloride

3-amino-N-(2-cyclobutyl-3H-benzimidazol-5-yl)butanamide;dihydrochloride (PubChem CID 119872008) has the molecular formula C15H22Cl2N4O and a molecular weight of 345.27 g/mol. Its IUPAC name is 3-amino-N-(2-cyclobutyl-3H-benzimidazol-5-yl)butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-cyclobutyl-3H-benzimidazol-5-yl)butanamide;dihydrochloride
PubChem CID119872008
Molecular FormulaC15H22Cl2N4O
Molecular Weight345.27 g/mol
Exact Mass344.12
IUPAC Name3-amino-N-(2-cyclobutyl-3H-benzimidazol-5-yl)butanamide;dihydrochloride
SMILESCC(N)CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1.Cl.Cl
InChIInChI=1S/C15H20N4O.2ClH/c1-9(16)7-14(20)17-11-5-6-12-13(8-11)19-15(18-12)10-3-2-4-10;;/h5-6,8-10H,2-4,7,16H2,1H3,(H,17,20)(H,18,19);2*1H
InChIKeyHOEYRPVYGIDRIN-UHFFFAOYSA-N
XLogP3.35
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-cyclobutyl-3H-benzimidazol-5-yl)furan-3-carboxamide
CID 52827537
N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide
CID 119871952
4-(aminomethyl)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)oxane-4-carboxamide
CID 120940687
(1R,4S)-4-[(2-cyclohexyl-3H-benzimidazol-5-yl)carbamoyl]cyclobut-2-ene-1-carboxylic acid
CID 167922413
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779436
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 119860393
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-2-carboxamide
CID 110793292
6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
CID 60613227
3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide
CID 60836174
1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
CID 82494798

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyclobutyl-3H-benzimidazol-5-yl)butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-(2-cyclobutyl-3H-benzimidazol-5-yl)butanamide;dihydrochloride (CID 119872008) is 3-amino-N-(2-cyclobutyl-3H-benzimidazol-5-yl)butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(2-cyclobutyl-3H-benzimidazol-5-yl)butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(2-cyclobutyl-3H-benzimidazol-5-yl)butanamide;dihydrochloride is CC(N)CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1.Cl.Cl.
What is the InChIKey of 3-amino-N-(2-cyclobutyl-3H-benzimidazol-5-yl)butanamide;dihydrochloride?
The InChIKey is HOEYRPVYGIDRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.2ClH/c1-9(16)7-14(20)17-11-5-6-12-13(8-11)19-15(18-12)10-3-2-4-10;;/h5-6,8-10H,2-4,7,16H2,1H3,(H,17,20)(H,18,19);2*1H.
What are the key properties of 3-amino-N-(2-cyclobutyl-3H-benzimidazol-5-yl)butanamide;dihydrochloride?
3-amino-N-(2-cyclobutyl-3H-benzimidazol-5-yl)butanamide;dihydrochloride has a molecular weight of 345.27 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyclobutyl-3H-benzimidazol-5-yl)butanamide;dihydrochloride is sourced from PubChem (CID 119872008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).