(5S)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C15H20N4O2 — CID 100662262

IUPAC(5S)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1CCc2nc[nH]c2C1
InChIInChI=1S/C15H20N4O2/c20-14-6-10(7-19(14)11-2-3-11)18-15(21)9-1-4-12-13(5-9)17-8-16-12/h8-11H,1-7H2,(H,16,17)(H,18,21)/t9-,10+/m0/s1
InChIKeyLAHXWOQNVVPEJP-VHSXEESVSA-N
MW288.35 g/mol
LogP0.39
Rot. Bonds3

About (5S)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

(5S)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 100662262) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (5S)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID100662262
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(5S)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1CCc2nc[nH]c2C1
InChIInChI=1S/C15H20N4O2/c20-14-6-10(7-19(14)11-2-3-11)18-15(21)9-1-4-12-13(5-9)17-8-16-12/h8-11H,1-7H2,(H,16,17)(H,18,21)/t9-,10+/m0/s1
InChIKeyLAHXWOQNVVPEJP-VHSXEESVSA-N
XLogP0.39
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662247
N-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640002
N-(4-hydroxycyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 121167007
(5S)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662612
(5R)-N-(2-acetamidoethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662860
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110016100
N-butyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639977
N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640134
(2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633713
(5S)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100660418
N-(2,2-diethoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639994
(5R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100665107

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of (5S)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 100662262) is (5S)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for (5S)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for (5S)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is O=C(N[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1CCc2nc[nH]c2C1.
What is the InChIKey of (5S)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is LAHXWOQNVVPEJP-VHSXEESVSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-14-6-10(7-19(14)11-2-3-11)18-15(21)9-1-4-12-13(5-9)17-8-16-12/h8-11H,1-7H2,(H,16,17)(H,18,21)/t9-,10+/m0/s1.
What are the key properties of (5S)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
(5S)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 100662262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).