2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide

C15H21N3O — CID 110791460

IUPAC2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
SMILESCc1nc2ccc(CCNC(=O)C(C)(C)C)cc2[nH]1
InChIInChI=1S/C15H21N3O/c1-10-17-12-6-5-11(9-13(12)18-10)7-8-16-14(19)15(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyBCQUWNBTDHNTSL-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.58
Rot. Bonds3

About 2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide

2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide (PubChem CID 110791460) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
PubChem CID110791460
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
SMILESCc1nc2ccc(CCNC(=O)C(C)(C)C)cc2[nH]1
InChIInChI=1S/C15H21N3O/c1-10-17-12-6-5-11(9-13(12)18-10)7-8-16-14(19)15(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyBCQUWNBTDHNTSL-UHFFFAOYSA-N
XLogP2.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791451
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167417
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791481
2,2-dimethyl-N-[2-(2-methyl-1H-indol-5-yl)ethyl]propanamide
CID 110734611
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692472
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol
CID 116928691
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine
CID 96671773
2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid
CID 82498408
N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide
CID 116846538

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide (CID 110791460) is 2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide is Cc1nc2ccc(CCNC(=O)C(C)(C)C)cc2[nH]1.
What is the InChIKey of 2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide?
The InChIKey is BCQUWNBTDHNTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-17-12-6-5-11(9-13(12)18-10)7-8-16-14(19)15(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide has a molecular weight of 259.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 110791460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).