2-[2-[(2-butylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide

C21H23N5O — CID 46784668

IUPAC2-[2-[(2-butylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide
SMILESCCCCc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O
InChIInChI=1S/C21H23N5O/c1-2-3-12-20-23-15-8-4-7-11-18(15)26(20)14-21-24-16-9-5-6-10-17(16)25(21)13-19(22)27/h4-11H,2-3,12-14H2,1H3,(H2,22,27)
InChIKeyAGRHYYQPSBTGHO-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.26
Rot. Bonds7

About 2-[2-[(2-butylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide

2-[2-[(2-butylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide (PubChem CID 46784668) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[2-[(2-butylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(2-butylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide
PubChem CID46784668
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-[2-[(2-butylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide
SMILESCCCCc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O
InChIInChI=1S/C21H23N5O/c1-2-3-12-20-23-15-8-4-7-11-18(15)26(20)14-21-24-16-9-5-6-10-17(16)25(21)13-19(22)27/h4-11H,2-3,12-14H2,1H3,(H2,22,27)
InChIKeyAGRHYYQPSBTGHO-UHFFFAOYSA-N
XLogP3.26
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide
CID 46784670
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298
4-[(2-butylbenzimidazol-1-yl)methyl]aniline
CID 54524981
5-[(2-butylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 82144541
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
2-[(2-butylbenzimidazol-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 39148045
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
1-ethyl-2-pentylbenzimidazole
CID 3463966
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide
CID 17031577
2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride
CID 139615644

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-butylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(2-butylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide (CID 46784668) is 2-[2-[(2-butylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(2-butylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[(2-butylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide is CCCCc1nc2ccccc2n1Cc1nc2ccccc2n1CC(N)=O.
What is the InChIKey of 2-[2-[(2-butylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide?
The InChIKey is AGRHYYQPSBTGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-2-3-12-20-23-15-8-4-7-11-18(15)26(20)14-21-24-16-9-5-6-10-17(16)25(21)13-19(22)27/h4-11H,2-3,12-14H2,1H3,(H2,22,27).
What are the key properties of 2-[2-[(2-butylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide?
2-[2-[(2-butylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-butylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 46784668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).