(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide

C16H20N4O2 — CID 125172872

IUPAC(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCOc1ccc2nc(CCN(C)C(=O)[C@H]3C=CCN3)[nH]c2c1
InChIInChI=1S/C16H20N4O2/c1-20(16(21)13-4-3-8-17-13)9-7-15-18-12-6-5-11(22-2)10-14(12)19-15/h3-6,10,13,17H,7-9H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyRYEXNZMDFUYELE-CYBMUJFWSA-N
MW300.36 g/mol
LogP1.10
Rot. Bonds5

About (2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide

(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 125172872) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID125172872
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCOc1ccc2nc(CCN(C)C(=O)[C@H]3C=CCN3)[nH]c2c1
InChIInChI=1S/C16H20N4O2/c1-20(16(21)13-4-3-8-17-13)9-7-15-18-12-6-5-11(22-2)10-14(12)19-15/h3-6,10,13,17H,7-9H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyRYEXNZMDFUYELE-CYBMUJFWSA-N
XLogP1.10
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 70728714
N-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 77078996
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide
CID 90649076
2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide
CID 42195933
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide
CID 131947626
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 90649915
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
N,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 72877164
2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylacetamide
CID 42165294
3-[(2R)-2-imidazol-1-ylpropyl]-1-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-methylurea
CID 125442242
N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 86859939
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of (2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 125172872) is (2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide is COc1ccc2nc(CCN(C)C(=O)[C@H]3C=CCN3)[nH]c2c1.
What is the InChIKey of (2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is RYEXNZMDFUYELE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-20(16(21)13-4-3-8-17-13)9-7-15-18-12-6-5-11(22-2)10-14(12)19-15/h3-6,10,13,17H,7-9H2,1-2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 125172872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).