trans-(1R,2R)-2-(2-methoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide

C21H23N3O2 — CID 98767851

IUPACtrans-(1R,2R)-2-(2-methoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](C)c1nc2ccccc2n1C
InChIInChI=1S/C21H23N3O2/c1-13(20-23-17-9-5-6-10-18(17)24(20)2)22-21(25)16-12-15(16)14-8-4-7-11-19(14)26-3/h4-11,13,15-16H,12H2,1-3H3,(H,22,25)/t13-,15+,16-/m1/s1
InChIKeyKMEGKUNWRCKTFT-VNQPRFMTSA-N
MW349.43 g/mol
LogP3.56
Rot. Bonds5

About trans-(1R,2R)-2-(2-methoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(2-methoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 98767851) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-methoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-methoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID98767851
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Nametrans-(1R,2R)-2-(2-methoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](C)c1nc2ccccc2n1C
InChIInChI=1S/C21H23N3O2/c1-13(20-23-17-9-5-6-10-18(17)24(20)2)22-21(25)16-12-15(16)14-8-4-7-11-19(14)26-3/h4-11,13,15-16H,12H2,1-3H3,(H,22,25)/t13-,15+,16-/m1/s1
InChIKeyKMEGKUNWRCKTFT-VNQPRFMTSA-N
XLogP3.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 121240654
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
2-(2-methoxyphenyl)-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
CID 91823296
methyl 1-[[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]carbamoyl]cyclopropane-1-carboxylate
CID 99636066
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 43823447
(2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119890016
N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 119889969
N-[1-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969673
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 72947289
trans-(1R,2R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 98760900

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-methoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2-methoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide (CID 98767851) is trans-(1R,2R)-2-(2-methoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2-methoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2-methoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide is COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](C)c1nc2ccccc2n1C.
What is the InChIKey of trans-(1R,2R)-2-(2-methoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is KMEGKUNWRCKTFT-VNQPRFMTSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13(20-23-17-9-5-6-10-18(17)24(20)2)22-21(25)16-12-15(16)14-8-4-7-11-19(14)26-3/h4-11,13,15-16H,12H2,1-3H3,(H,22,25)/t13-,15+,16-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2-methoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(2-methoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-methoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 98767851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).