3-amino-N-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide

C14H16N4O — CID 71739347

IUPAC3-amino-N-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
SMILESNc1c(C(=O)NCc2ccccc2)nc2n1CCC2
InChIInChI=1S/C14H16N4O/c15-13-12(17-11-7-4-8-18(11)13)14(19)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,15H2,(H,16,19)
InChIKeyDZDASOXGKAVVQF-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.34
Rot. Bonds3

About 3-amino-N-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide

3-amino-N-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide (PubChem CID 71739347) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-amino-N-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
PubChem CID71739347
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-amino-N-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
SMILESNc1c(C(=O)NCc2ccccc2)nc2n1CCC2
InChIInChI=1S/C14H16N4O/c15-13-12(17-11-7-4-8-18(11)13)14(19)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,15H2,(H,16,19)
InChIKeyDZDASOXGKAVVQF-UHFFFAOYSA-N
XLogP1.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-N-benzyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
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1-N-benzyl-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076179
5-amino-N-benzyl-1-methyltriazole-4-carboxamide
CID 1499694
3-N-benzyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
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3-N-benzyl-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076204
5-amino-N-benzyl-1-phenyltriazole-4-carboxamide
CID 17015753
1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076187
3-N-benzyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074342
1-N-benzyl-3-N-cycloheptyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
The IUPAC name of 3-amino-N-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide (CID 71739347) is 3-amino-N-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide.
What is the SMILES notation for 3-amino-N-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
The canonical SMILES for 3-amino-N-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide is Nc1c(C(=O)NCc2ccccc2)nc2n1CCC2.
What is the InChIKey of 3-amino-N-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
The InChIKey is DZDASOXGKAVVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-13-12(17-11-7-4-8-18(11)13)14(19)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,15H2,(H,16,19).
What are the key properties of 3-amino-N-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
3-amino-N-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide is sourced from PubChem (CID 71739347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).