1H-benzimidazol-2-yl-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]methanone

C18H16N2O2 — CID 41273821

IUPAC1H-benzimidazol-2-yl-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1ccc([C@H]2C[C@H]2C(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H16N2O2/c1-22-12-8-6-11(7-9-12)13-10-14(13)17(21)18-19-15-4-2-3-5-16(15)20-18/h2-9,13-14H,10H2,1H3,(H,19,20)/t13-,14-/m1/s1
InChIKeyWWSLKYBYLDZCGQ-ZIAGYGMSSA-N
MW292.34 g/mol
LogP3.56
Rot. Bonds4

About 1H-benzimidazol-2-yl-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]methanone

1H-benzimidazol-2-yl-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]methanone (PubChem CID 41273821) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]methanone
PubChem CID41273821
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name1H-benzimidazol-2-yl-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1ccc([C@H]2C[C@H]2C(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H16N2O2/c1-22-12-8-6-11(7-9-12)13-10-14(13)17(21)18-19-15-4-2-3-5-16(15)20-18/h2-9,13-14H,10H2,1H3,(H,19,20)/t13-,14-/m1/s1
InChIKeyWWSLKYBYLDZCGQ-ZIAGYGMSSA-N
XLogP3.56
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-benzimidazol-2-yl-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 41273796
[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-pyridin-2-ylmethanone
CID 40542856
1H-benzimidazol-2-yl(piperidin-4-yl)methanone
CID 18333277
(4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone
CID 14939961
cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 840089
N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide
CID 584328
1H-benzimidazol-2-yl-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 126451843
1H-benzimidazol-2-yl-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 126451844
N-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 90336064
(NE)-N-[[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine
CID 40542857
N-[[2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine
CID 3787911
N-[bis(1H-benzimidazol-2-yl)methylideneamino]-4-methoxyaniline
CID 135921055

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]methanone (CID 41273821) is 1H-benzimidazol-2-yl-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]methanone is COc1ccc([C@H]2C[C@H]2C(=O)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 1H-benzimidazol-2-yl-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]methanone?
The InChIKey is WWSLKYBYLDZCGQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-22-12-8-6-11(7-9-12)13-10-14(13)17(21)18-19-15-4-2-3-5-16(15)20-18/h2-9,13-14H,10H2,1H3,(H,19,20)/t13-,14-/m1/s1.
What are the key properties of 1H-benzimidazol-2-yl-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]methanone?
1H-benzimidazol-2-yl-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]methanone has a molecular weight of 292.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]methanone is sourced from PubChem (CID 41273821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).