(6-amino-2-methylbenzimidazol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone

C16H17N5O — CID 112523690

IUPAC(6-amino-2-methylbenzimidazol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
SMILESCc1nc2ccc(N)cc2n1C(=O)C1CCn2cncc2C1
InChIInChI=1S/C16H17N5O/c1-10-19-14-3-2-12(17)7-15(14)21(10)16(22)11-4-5-20-9-18-8-13(20)6-11/h2-3,7-9,11H,4-6,17H2,1H3
InChIKeyLLNNWQQWDAMXIC-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.03
Rot. Bonds1

About (6-amino-2-methylbenzimidazol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone

(6-amino-2-methylbenzimidazol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone (PubChem CID 112523690) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is (6-amino-2-methylbenzimidazol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone.

Molecular Properties

Compound Name(6-amino-2-methylbenzimidazol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
PubChem CID112523690
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name(6-amino-2-methylbenzimidazol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
SMILESCc1nc2ccc(N)cc2n1C(=O)C1CCn2cncc2C1
InChIInChI=1S/C16H17N5O/c1-10-19-14-3-2-12(17)7-15(14)21(10)16(22)11-4-5-20-9-18-8-13(20)6-11/h2-3,7-9,11H,4-6,17H2,1H3
InChIKeyLLNNWQQWDAMXIC-UHFFFAOYSA-N
XLogP2.03
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-amino-2-methylbenzimidazol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone?
The IUPAC name of (6-amino-2-methylbenzimidazol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone (CID 112523690) is (6-amino-2-methylbenzimidazol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone.
What is the SMILES notation for (6-amino-2-methylbenzimidazol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone?
The canonical SMILES for (6-amino-2-methylbenzimidazol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone is Cc1nc2ccc(N)cc2n1C(=O)C1CCn2cncc2C1.
What is the InChIKey of (6-amino-2-methylbenzimidazol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone?
The InChIKey is LLNNWQQWDAMXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10-19-14-3-2-12(17)7-15(14)21(10)16(22)11-4-5-20-9-18-8-13(20)6-11/h2-3,7-9,11H,4-6,17H2,1H3.
What are the key properties of (6-amino-2-methylbenzimidazol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone?
(6-amino-2-methylbenzimidazol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone has a molecular weight of 295.35 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-methylbenzimidazol-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone is sourced from PubChem (CID 112523690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).