N-[1,2-bis(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide

C20H21N5O — CID 43889855

IUPACN-[1,2-bis(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(Cc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H21N5O/c1-12(2)20(26)25-17(19-23-15-9-5-6-10-16(15)24-19)11-18-21-13-7-3-4-8-14(13)22-18/h3-10,12,17H,11H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)
InChIKeySUGDBSVZKRJDEV-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.50
Rot. Bonds5

About N-[1,2-bis(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide

N-[1,2-bis(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide (PubChem CID 43889855) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[1,2-bis(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1,2-bis(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
PubChem CID43889855
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[1,2-bis(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(Cc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H21N5O/c1-12(2)20(26)25-17(19-23-15-9-5-6-10-16(15)24-19)11-18-21-13-7-3-4-8-14(13)22-18/h3-10,12,17H,11H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)
InChIKeySUGDBSVZKRJDEV-UHFFFAOYSA-N
XLogP3.50
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
(2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride
CID 119871657
4-(1H-benzimidazol-2-yl)-3-methylbutanoic acid
CID 12789249
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide
CID 119836762
3-acetamido-3-(1H-benzimidazol-2-yl)propanoic acid
CID 142267067
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 47141201
(4S)-5-(1H-benzimidazol-2-yl)-N,4-dimethylpentanamide
CID 90230596
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(4-bromophenyl)acetamide
CID 4877413
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide
CID 119836758

Frequently Asked Questions

What is the IUPAC name of N-[1,2-bis(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[1,2-bis(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide (CID 43889855) is N-[1,2-bis(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[1,2-bis(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[1,2-bis(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide is CC(C)C(=O)NC(Cc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1,2-bis(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide?
The InChIKey is SUGDBSVZKRJDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-12(2)20(26)25-17(19-23-15-9-5-6-10-16(15)24-19)11-18-21-13-7-3-4-8-14(13)22-18/h3-10,12,17H,11H2,1-2H3,(H,21,22)(H,23,24)(H,25,26).
What are the key properties of N-[1,2-bis(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide?
N-[1,2-bis(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide has a molecular weight of 347.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-bis(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 43889855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).