N-(3H-benzimidazol-5-yl)-1-methyl-6-phenylpyrrolo[3,2-b]pyridine-3-carboxamide

C22H17N5O — CID 155515398

IUPACN-(3H-benzimidazol-5-yl)-1-methyl-6-phenylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3nc[nH]c3c2)c2ncc(-c3ccccc3)cc21
InChIInChI=1S/C22H17N5O/c1-27-12-17(22(28)26-16-7-8-18-19(10-16)25-13-24-18)21-20(27)9-15(11-23-21)14-5-3-2-4-6-14/h2-13H,1H3,(H,24,25)(H,26,28)
InChIKeyHCVCCNOGNXYCIS-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.37
Rot. Bonds3

About N-(3H-benzimidazol-5-yl)-1-methyl-6-phenylpyrrolo[3,2-b]pyridine-3-carboxamide

N-(3H-benzimidazol-5-yl)-1-methyl-6-phenylpyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 155515398) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-1-methyl-6-phenylpyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-1-methyl-6-phenylpyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID155515398
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC NameN-(3H-benzimidazol-5-yl)-1-methyl-6-phenylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3nc[nH]c3c2)c2ncc(-c3ccccc3)cc21
InChIInChI=1S/C22H17N5O/c1-27-12-17(22(28)26-16-7-8-18-19(10-16)25-13-24-18)21-20(27)9-15(11-23-21)14-5-3-2-4-6-14/h2-13H,1H3,(H,24,25)(H,26,28)
InChIKeyHCVCCNOGNXYCIS-UHFFFAOYSA-N
XLogP4.37
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-1-methyl-6-phenylpyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-1-methyl-6-phenylpyrrolo[3,2-b]pyridine-3-carboxamide (CID 155515398) is N-(3H-benzimidazol-5-yl)-1-methyl-6-phenylpyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-1-methyl-6-phenylpyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-1-methyl-6-phenylpyrrolo[3,2-b]pyridine-3-carboxamide is Cn1cc(C(=O)Nc2ccc3nc[nH]c3c2)c2ncc(-c3ccccc3)cc21.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-1-methyl-6-phenylpyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is HCVCCNOGNXYCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-27-12-17(22(28)26-16-7-8-18-19(10-16)25-13-24-18)21-20(27)9-15(11-23-21)14-5-3-2-4-6-14/h2-13H,1H3,(H,24,25)(H,26,28).
What are the key properties of N-(3H-benzimidazol-5-yl)-1-methyl-6-phenylpyrrolo[3,2-b]pyridine-3-carboxamide?
N-(3H-benzimidazol-5-yl)-1-methyl-6-phenylpyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-1-methyl-6-phenylpyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 155515398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).