(7R)-N-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C24H25N5O — CID 97325931

IUPAC(7R)-N-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCc1cc2nc(-c3ccc(CNC(=O)[C@@H]4CCn5cncc5C4)cc3)[nH]c2cc1C
InChIInChI=1S/C24H25N5O/c1-15-9-21-22(10-16(15)2)28-23(27-21)18-5-3-17(4-6-18)12-26-24(30)19-7-8-29-14-25-13-20(29)11-19/h3-6,9-10,13-14,19H,7-8,11-12H2,1-2H3,(H,26,30)(H,27,28)/t19-/m1/s1
InChIKeyIIIXPKNOJBNMHN-LJQANCHMSA-N
MW399.50 g/mol
LogP3.92
Rot. Bonds4

About (7R)-N-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

(7R)-N-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 97325931) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is (7R)-N-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name(7R)-N-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID97325931
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name(7R)-N-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCc1cc2nc(-c3ccc(CNC(=O)[C@@H]4CCn5cncc5C4)cc3)[nH]c2cc1C
InChIInChI=1S/C24H25N5O/c1-15-9-21-22(10-16(15)2)28-23(27-21)18-5-3-17(4-6-18)12-26-24(30)19-7-8-29-14-25-13-20(29)11-19/h3-6,9-10,13-14,19H,7-8,11-12H2,1-2H3,(H,26,30)(H,27,28)/t19-/m1/s1
InChIKeyIIIXPKNOJBNMHN-LJQANCHMSA-N
XLogP3.92
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-N-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of (7R)-N-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 97325931) is (7R)-N-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for (7R)-N-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for (7R)-N-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is Cc1cc2nc(-c3ccc(CNC(=O)[C@@H]4CCn5cncc5C4)cc3)[nH]c2cc1C.
What is the InChIKey of (7R)-N-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is IIIXPKNOJBNMHN-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25N5O/c1-15-9-21-22(10-16(15)2)28-23(27-21)18-5-3-17(4-6-18)12-26-24(30)19-7-8-29-14-25-13-20(29)11-19/h3-6,9-10,13-14,19H,7-8,11-12H2,1-2H3,(H,26,30)(H,27,28)/t19-/m1/s1.
What are the key properties of (7R)-N-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
(7R)-N-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 97325931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).