(2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropane-1-carboxamide

C21H21N3O2 — CID 163500131

IUPAC(2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1C[C@@H]1c1nc2ccccc2[nH]1)c1ccc2c(c1)CCO2
InChIInChI=1S/C21H21N3O2/c1-12(13-6-7-19-14(10-13)8-9-26-19)22-21(25)16-11-15(16)20-23-17-4-2-3-5-18(17)24-20/h2-7,10,12,15-16H,8-9,11H2,1H3,(H,22,25)(H,23,24)/t12-,15+,16?/m1/s1
InChIKeyCUAIHDVIRMYZFU-AVPQSEQGSA-N
MW347.42 g/mol
LogP3.48
Rot. Bonds4

About (2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropane-1-carboxamide

(2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 163500131) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID163500131
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name(2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1C[C@@H]1c1nc2ccccc2[nH]1)c1ccc2c(c1)CCO2
InChIInChI=1S/C21H21N3O2/c1-12(13-6-7-19-14(10-13)8-9-26-19)22-21(25)16-11-15(16)20-23-17-4-2-3-5-18(17)24-20/h2-7,10,12,15-16H,8-9,11H2,1H3,(H,22,25)(H,23,24)/t12-,15+,16?/m1/s1
InChIKeyCUAIHDVIRMYZFU-AVPQSEQGSA-N
XLogP3.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid
CID 146264225
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-quinolin-2-ylethyl)cyclopropane-1-carboxamide
CID 135377878
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 130245599
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(1S)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 135378281
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(5-cyano-1-benzofuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 135378118
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(morpholine-4-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
CID 135377406
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[1-[5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
CID 135377370
4-[2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoylamino]piperidine-1-carboxylic acid
CID 146264259
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(2R)-1-oxo-1-(4-propan-2-yloxyanilino)propan-2-yl]cyclopropane-1-carboxamide
CID 151009764
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(2R)-1-[(5-bromopyrazin-2-yl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 150401895
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(R)-cyclohexyl-(5-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 158755686
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 134036096

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of (2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropane-1-carboxamide (CID 163500131) is (2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for (2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropane-1-carboxamide is C[C@@H](NC(=O)C1C[C@@H]1c1nc2ccccc2[nH]1)c1ccc2c(c1)CCO2.
What is the InChIKey of (2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is CUAIHDVIRMYZFU-AVPQSEQGSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-12(13-6-7-19-14(10-13)8-9-26-19)22-21(25)16-11-15(16)20-23-17-4-2-3-5-18(17)24-20/h2-7,10,12,15-16H,8-9,11H2,1H3,(H,22,25)(H,23,24)/t12-,15+,16?/m1/s1.
What are the key properties of (2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropane-1-carboxamide?
(2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 163500131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).