N-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide

C19H16N4O2 — CID 71829009

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCn1cc(C(=O)NCc2nc3ccccc3[nH]2)c2ccccc2c1=O
InChIInChI=1S/C19H16N4O2/c1-23-11-14(12-6-2-3-7-13(12)19(23)25)18(24)20-10-17-21-15-8-4-5-9-16(15)22-17/h2-9,11H,10H2,1H3,(H,20,24)(H,21,22)
InChIKeyCXZFCHAPBRLQCX-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.34
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 71829009) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
PubChem CID71829009
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCn1cc(C(=O)NCc2nc3ccccc3[nH]2)c2ccccc2c1=O
InChIInChI=1S/C19H16N4O2/c1-23-11-14(12-6-2-3-7-13(12)19(23)25)18(24)20-10-17-21-15-8-4-5-9-16(15)22-17/h2-9,11H,10H2,1H3,(H,20,24)(H,21,22)
InChIKeyCXZFCHAPBRLQCX-UHFFFAOYSA-N
XLogP2.34
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide (CID 71829009) is N-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide is Cn1cc(C(=O)NCc2nc3ccccc3[nH]2)c2ccccc2c1=O.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is CXZFCHAPBRLQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-23-11-14(12-6-2-3-7-13(12)19(23)25)18(24)20-10-17-21-15-8-4-5-9-16(15)22-17/h2-9,11H,10H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 71829009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).