N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide

C14H15N3O2 — CID 111697069

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H15N3O2/c18-7-9-1-3-11(5-9)17-14(19)10-2-4-12-13(6-10)16-8-15-12/h1-4,6,8-9,11,18H,5,7H2,(H,15,16)(H,17,19)/t9-,11+/m0/s1
InChIKeyGQLWHHSOBKAICF-GXSJLCMTSA-N
MW257.29 g/mol
LogP1.23
Rot. Bonds3

About N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 111697069) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide
PubChem CID111697069
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H15N3O2/c18-7-9-1-3-11(5-9)17-14(19)10-2-4-12-13(6-10)16-8-15-12/h1-4,6,8-9,11,18H,5,7H2,(H,15,16)(H,17,19)/t9-,11+/m0/s1
InChIKeyGQLWHHSOBKAICF-GXSJLCMTSA-N
XLogP1.23
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide
CID 43594956
N-[2-(hydroxymethyl)cyclopentyl]-3H-benzimidazole-5-carboxamide
CID 103856996
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide
CID 64722974
N-(3-methylcyclopentyl)-3H-benzimidazole-5-carboxamide
CID 114549479
N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 162475306
N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 106995338
3-(2,2-dimethylpropanoylamino)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111661623
N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-3H-benzimidazole-5-carboxamide
CID 97324759
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide
CID 115701405
N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide
CID 10308194

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide (CID 111697069) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide is O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is GQLWHHSOBKAICF-GXSJLCMTSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-7-9-1-3-11(5-9)17-14(19)10-2-4-12-13(6-10)16-8-15-12/h1-4,6,8-9,11,18H,5,7H2,(H,15,16)(H,17,19)/t9-,11+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 111697069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).