N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzamide

C19H16N4O — CID 828659

IUPACN-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzamide
SMILESCn1cccc1-c1nc2ccc(NC(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C19H16N4O/c1-23-11-5-8-17(23)18-21-15-10-9-14(12-16(15)22-18)20-19(24)13-6-3-2-4-7-13/h2-12H,1H3,(H,20,24)(H,21,22)
InChIKeySXGBEMHHLDIXBT-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.82
Rot. Bonds3

About N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzamide

N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzamide (PubChem CID 828659) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzamide
PubChem CID828659
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzamide
SMILESCn1cccc1-c1nc2ccc(NC(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C19H16N4O/c1-23-11-5-8-17(23)18-21-15-10-9-14(12-16(15)22-18)20-19(24)13-6-3-2-4-7-13/h2-12H,1H3,(H,20,24)(H,21,22)
InChIKeySXGBEMHHLDIXBT-UHFFFAOYSA-N
XLogP3.82
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzamide (CID 828659) is N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzamide is Cn1cccc1-c1nc2ccc(NC(=O)c3ccccc3)cc2[nH]1.
What is the InChIKey of N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzamide?
The InChIKey is SXGBEMHHLDIXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-23-11-5-8-17(23)18-21-15-10-9-14(12-16(15)22-18)20-19(24)13-6-3-2-4-7-13/h2-12H,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzamide?
N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzamide has a molecular weight of 316.36 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 828659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).