5-bromo-3-(cyclopropylmethyl)-1H-benzimidazol-2-one

C11H11BrN2O — CID 177301987

IUPAC5-bromo-3-(cyclopropylmethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(Br)cc2n1CC1CC1
InChIInChI=1S/C11H11BrN2O/c12-8-3-4-9-10(5-8)14(11(15)13-9)6-7-1-2-7/h3-5,7H,1-2,6H2,(H,13,15)
InChIKeySKCLGNCLGLSJSI-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.50
Rot. Bonds2

About 5-bromo-3-(cyclopropylmethyl)-1H-benzimidazol-2-one

5-bromo-3-(cyclopropylmethyl)-1H-benzimidazol-2-one (PubChem CID 177301987) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 5-bromo-3-(cyclopropylmethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-3-(cyclopropylmethyl)-1H-benzimidazol-2-one
PubChem CID177301987
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name5-bromo-3-(cyclopropylmethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(Br)cc2n1CC1CC1
InChIInChI=1S/C11H11BrN2O/c12-8-3-4-9-10(5-8)14(11(15)13-9)6-7-1-2-7/h3-5,7H,1-2,6H2,(H,13,15)
InChIKeySKCLGNCLGLSJSI-UHFFFAOYSA-N
XLogP2.50
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropylmethyl)-1H-benzimidazol-2-one
CID 57436030
3-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-benzimidazol-2-one
CID 117207857
3-(oxan-4-ylmethyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82784396
5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117207858
3-(piperidin-4-ylmethyl)-1H-benzimidazol-2-one
CID 15585637
5-bromo-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-1H-benzimidazol-2-one
CID 135304423
5-hydroxy-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117208125
5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117208118
5-bromo-3-[(1,1-dioxothiolan-2-yl)methyl]-1H-benzimidazole-2-thione
CID 81040121
3-[(1,1-dioxothian-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one
CID 117207114
5-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117207901
3-(oxolan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117206200

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(cyclopropylmethyl)-1H-benzimidazol-2-one?
The IUPAC name of 5-bromo-3-(cyclopropylmethyl)-1H-benzimidazol-2-one (CID 177301987) is 5-bromo-3-(cyclopropylmethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-bromo-3-(cyclopropylmethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-bromo-3-(cyclopropylmethyl)-1H-benzimidazol-2-one is O=c1[nH]c2ccc(Br)cc2n1CC1CC1.
What is the InChIKey of 5-bromo-3-(cyclopropylmethyl)-1H-benzimidazol-2-one?
The InChIKey is SKCLGNCLGLSJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-8-3-4-9-10(5-8)14(11(15)13-9)6-7-1-2-7/h3-5,7H,1-2,6H2,(H,13,15).
What are the key properties of 5-bromo-3-(cyclopropylmethyl)-1H-benzimidazol-2-one?
5-bromo-3-(cyclopropylmethyl)-1H-benzimidazol-2-one has a molecular weight of 267.13 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(cyclopropylmethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 177301987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).