N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

C18H20N4O3 — CID 95202229

IUPACN-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESO=C(NC[C@H]1CCN(Cc2ccco2)C1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H20N4O3/c23-17(13-3-4-15-16(8-13)21-18(24)20-15)19-9-12-5-6-22(10-12)11-14-2-1-7-25-14/h1-4,7-8,12H,5-6,9-11H2,(H,19,23)(H2,20,21,24)/t12-/m1/s1
InChIKeySESNZAWOTWVRSO-GFCCVEGCSA-N
MW340.38 g/mol
LogP1.70
Rot. Bonds5

About N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 95202229) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID95202229
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESO=C(NC[C@H]1CCN(Cc2ccco2)C1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H20N4O3/c23-17(13-3-4-15-16(8-13)21-18(24)20-15)19-9-12-5-6-22(10-12)11-14-2-1-7-25-14/h1-4,7-8,12H,5-6,9-11H2,(H,19,23)(H2,20,21,24)/t12-/m1/s1
InChIKeySESNZAWOTWVRSO-GFCCVEGCSA-N
XLogP1.70
TPSA94.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 95218334
N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95191321
4-ethoxy-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896156
N-[[1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 56722802
2,6-difluoro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896109
1-ethyl-N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 95214322
N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 95200289
N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 124750984
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-3-hydroxybenzamide
CID 95226562
1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea
CID 56741397
3-ethyl-1-(furan-2-ylmethyl)pyrrolidine
CID 130727430
N-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (CID 95202229) is N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is O=C(NC[C@H]1CCN(Cc2ccco2)C1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is SESNZAWOTWVRSO-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-17(13-3-4-15-16(8-13)21-18(24)20-15)19-9-12-5-6-22(10-12)11-14-2-1-7-25-14/h1-4,7-8,12H,5-6,9-11H2,(H,19,23)(H2,20,21,24)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 95202229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).