trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide

C20H18N4O2 — CID 130245599

IUPACtrans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)[C@H]1C[C@@H]1c1nc2ccccc2[nH]1)c1cc2ncccc2o1
InChIInChI=1S/C20H18N4O2/c1-11(18-10-16-17(26-18)7-4-8-21-16)22-20(25)13-9-12(13)19-23-14-5-2-3-6-15(14)24-19/h2-8,10-13H,9H2,1H3,(H,22,25)(H,23,24)/t11?,12-,13-/m0/s1
InChIKeyJHUUXRJDEXIFST-SPOOISQMSA-N
MW346.39 g/mol
LogP3.68
Rot. Bonds4

About trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide (PubChem CID 130245599) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide
PubChem CID130245599
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Nametrans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)[C@H]1C[C@@H]1c1nc2ccccc2[nH]1)c1cc2ncccc2o1
InChIInChI=1S/C20H18N4O2/c1-11(18-10-16-17(26-18)7-4-8-21-16)22-20(25)13-9-12(13)19-23-14-5-2-3-6-15(14)24-19/h2-8,10-13H,9H2,1H3,(H,22,25)(H,23,24)/t11?,12-,13-/m0/s1
InChIKeyJHUUXRJDEXIFST-SPOOISQMSA-N
XLogP3.68
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
(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
3-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)propanamide
CID 130244822
(2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropane-1-carboxamide
CID 163500131
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-[(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-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide
CID 135377453
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-[1-[5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
CID 135377370

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide (CID 130245599) is trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide is CC(NC(=O)[C@H]1C[C@@H]1c1nc2ccccc2[nH]1)c1cc2ncccc2o1.
What is the InChIKey of trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is JHUUXRJDEXIFST-SPOOISQMSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-11(18-10-16-17(26-18)7-4-8-21-16)22-20(25)13-9-12(13)19-23-14-5-2-3-6-15(14)24-19/h2-8,10-13H,9H2,1H3,(H,22,25)(H,23,24)/t11?,12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 130245599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).