N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide

C13H17N3O — CID 110791317

IUPACN-[2-(3H-benzimidazol-5-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C13H17N3O/c1-2-3-13(17)14-7-6-10-4-5-11-12(8-10)16-9-15-11/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyYSJRHIMDPAKYKM-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.02
Rot. Bonds5

About N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide

N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide (PubChem CID 110791317) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(3H-benzimidazol-5-yl)ethyl]butanamide
PubChem CID110791317
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[2-(3H-benzimidazol-5-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C13H17N3O/c1-2-3-13(17)14-7-6-10-4-5-11-12(8-10)16-9-15-11/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyYSJRHIMDPAKYKM-UHFFFAOYSA-N
XLogP2.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3H-benzimidazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 115163730
N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158058
N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 110791381
N-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110791377
4-(3H-benzimidazol-5-yl)butan-2-one
CID 82405049
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
CID 110785494
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297
N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
CID 146094481
4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide
CID 116847733
6-pentyl-1H-benzimidazole
CID 58767911
2-amino-N-(3H-benzimidazol-5-ylmethyl)acetamide
CID 82491860
3-[2-(3H-benzimidazol-5-yl)ethylamino]-2-methylpropanoic acid
CID 115219571

Frequently Asked Questions

What is the IUPAC name of N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide?
The IUPAC name of N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide (CID 110791317) is N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide is CCCC(=O)NCCc1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide?
The InChIKey is YSJRHIMDPAKYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-3-13(17)14-7-6-10-4-5-11-12(8-10)16-9-15-11/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide?
N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide has a molecular weight of 231.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 110791317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).