1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-2-one

C10H14N2O — CID 83858416

IUPAC1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-2-one
SMILESCC(=O)Cc1nc2c([nH]1)CCCC2
InChIInChI=1S/C10H14N2O/c1-7(13)6-10-11-8-4-2-3-5-9(8)12-10/h2-6H2,1H3,(H,11,12)
InChIKeyAZDDNDDJQGXJLK-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.42
Rot. Bonds2

About 1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-2-one

1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-2-one (PubChem CID 83858416) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-2-one
PubChem CID83858416
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-2-one
SMILESCC(=O)Cc1nc2c([nH]1)CCCC2
InChIInChI=1S/C10H14N2O/c1-7(13)6-10-11-8-4-2-3-5-9(8)12-10/h2-6H2,1H3,(H,11,12)
InChIKeyAZDDNDDJQGXJLK-UHFFFAOYSA-N
XLogP1.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide
CID 113081462
N-methyl-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine
CID 15851824
4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride
CID 71779243
N-methyl-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)methanamine
CID 63927396
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-ylmethyl)propan-2-amine
CID 63927415
2-methyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-amine
CID 83858442
2-(2-bromophenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)acetamide
CID 113081535
5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 146104021
3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide
CID 113081493
N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 113081515
N-(4,5,6,7,8,9-hexahydro-1H-cycloocta[d]imidazol-2-ylmethyl)-2-methoxyethanamine
CID 63955902
3-(3,4-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide
CID 113081519

Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-2-one?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-2-one (CID 83858416) is 1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-2-one is CC(=O)Cc1nc2c([nH]1)CCCC2.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-2-one?
The InChIKey is AZDDNDDJQGXJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(13)6-10-11-8-4-2-3-5-9(8)12-10/h2-6H2,1H3,(H,11,12).
What are the key properties of 1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-2-one?
1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-2-one has a molecular weight of 178.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-2-one is sourced from PubChem (CID 83858416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).