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

C13H17N3O — CID 7060732

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H](C)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H17N3O/c1-8(2)13(17)14-9(3)12-15-10-6-4-5-7-11(10)16-12/h4-9H,1-3H3,(H,14,17)(H,15,16)/t9-/m1/s1
InChIKeyKBPJBYLSLYYSCR-SECBINFHSA-N
MW231.30 g/mol
LogP2.40
Rot. Bonds3

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

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide (PubChem CID 7060732) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
PubChem CID7060732
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H](C)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H17N3O/c1-8(2)13(17)14-9(3)12-15-10-6-4-5-7-11(10)16-12/h4-9H,1-3H3,(H,14,17)(H,15,16)/t9-/m1/s1
InChIKeyKBPJBYLSLYYSCR-SECBINFHSA-N
XLogP2.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide
CID 115532400
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate
CID 62668799
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 60731653
2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 110460891
N-[1,2-bis(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 43889855
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide
CID 18116415
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 60509545

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide (CID 7060732) is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide is CC(C)C(=O)N[C@H](C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide?
The InChIKey is KBPJBYLSLYYSCR-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8(2)13(17)14-9(3)12-15-10-6-4-5-7-11(10)16-12/h4-9H,1-3H3,(H,14,17)(H,15,16)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide?
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide has a molecular weight of 231.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 7060732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).