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

C15H21N3O — CID 110791381

IUPACN-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H21N3O/c1-15(2,3)9-14(19)16-7-6-11-4-5-12-13(8-11)18-10-17-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyHHAUKMHJOUXIEH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.66
Rot. Bonds4

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

N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide (PubChem CID 110791381) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide
PubChem CID110791381
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H21N3O/c1-15(2,3)9-14(19)16-7-6-11-4-5-12-13(8-11)18-10-17-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyHHAUKMHJOUXIEH-UHFFFAOYSA-N
XLogP2.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide
CID 110791317
4-[2-(3H-benzimidazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 115163730
N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158058
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide
CID 115157341
1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
CID 115136178
N-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110791377
4-(3H-benzimidazol-5-yl)butan-2-one
CID 82405049
2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
CID 115132184
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297
N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
CID 146094481
1-(3H-benzimidazol-5-ylmethyl)-3-tert-butylurea
CID 110775445
6-(2,2-dimethylpropyl)-1H-benzimidazole
CID 58236536

Frequently Asked Questions

What is the IUPAC name of N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide (CID 110791381) is N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCCc1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is HHAUKMHJOUXIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,3)9-14(19)16-7-6-11-4-5-12-13(8-11)18-10-17-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide?
N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 259.35 g/mol, XLogP of 2.66, 4 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]-3,3-dimethylbutanamide is sourced from PubChem (CID 110791381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).