N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide

C18H22N4O3 — CID 3544775

IUPACN-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC(CO)C(=O)NC1CC2CCC1C2)c1ccc2nc[nH]c2c1
InChIInChI=1S/C18H22N4O3/c23-8-16(18(25)21-14-6-10-1-2-11(14)5-10)22-17(24)12-3-4-13-15(7-12)20-9-19-13/h3-4,7,9-11,14,16,23H,1-2,5-6,8H2,(H,19,20)(H,21,25)(H,22,24)
InChIKeyKFWSOFXNISSRJC-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.96
Rot. Bonds5

About N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 3544775) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide
PubChem CID3544775
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC(CO)C(=O)NC1CC2CCC1C2)c1ccc2nc[nH]c2c1
InChIInChI=1S/C18H22N4O3/c23-8-16(18(25)21-14-6-10-1-2-11(14)5-10)22-17(24)12-3-4-13-15(7-12)20-9-19-13/h3-4,7,9-11,14,16,23H,1-2,5-6,8H2,(H,19,20)(H,21,25)(H,22,24)
InChIKeyKFWSOFXNISSRJC-UHFFFAOYSA-N
XLogP0.96
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]naphthalene-2-carboxamide
CID 6667462
N-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide
CID 6723252
N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 6723490
N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 6724674
(2S)-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724752
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide
CID 111697069
N-[2-(hydroxymethyl)cyclopentyl]-3H-benzimidazole-5-carboxamide
CID 103856996
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 63686305
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-(3-phenylprop-2-enoylamino)propanamide
CID 4685068
N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide
CID 43594956
N-(3-methylcyclopentyl)-3H-benzimidazole-5-carboxamide
CID 114549479

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide (CID 3544775) is N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide is O=C(NC(CO)C(=O)NC1CC2CCC1C2)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is KFWSOFXNISSRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-8-16(18(25)21-14-6-10-1-2-11(14)5-10)22-17(24)12-3-4-13-15(7-12)20-9-19-13/h3-4,7,9-11,14,16,23H,1-2,5-6,8H2,(H,19,20)(H,21,25)(H,22,24).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.96, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 3544775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).